Assessment of Chemical Coverage of Kinome Space and Its Implications for Kinase Drug Discovery
Paul Bamborough, David Harold Drewry, Gavin Harper, Gary K. Smith, Klaus Schneider
Abstract
Paul Bamborough, David Harold Drewry, Gavin Harper, Gary K. Smith, Klaus Schneider
Abstract
More than 500 compounds chosen to represent kinase inhibitor space have been screened against a panel of over 200 protein kinases. Significant results include the identification of hits against new kinases including PIM1 and MPSK1, and the expansion of the inhibition profiles of several literature compounds. A detailed analysis of the data through the use of affinity fingerprints has produced findings with implications for biological target selection, the choice of tool compounds for target validation, and lead discovery and optimization. In a detailed examination of the tyrosine kinases, interesting relationships have been found between targets and compounds. Taken together, these results show how broad cross-profiling can provide important insights to assist kinase drug discovery.
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More than 500 compounds chosen to represent kinase inhibitor space have been screened against a panel of over 200 protein kinases. Significant results include the identification of hits against new kinases including PIM1 and MPSK1, and the expansion of the inhibition profiles of several literature compounds. A detailed analysis of the data through the use of affinity fingerprints has produced findings with implications for biological target selection, the choice of tool compounds for target validation, and lead discovery and optimization. In a detailed examination of the tyrosine kinases, interesting relationships have been found between targets and compounds. Taken together, these results show how broad cross-profiling can provide important insights to assist kinase drug discovery.
Key concepts: Kinome, Drug discovery, Chemical space, Kinase, Computational biology, Chemistry, Profiling (computer programming), PIM1