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The central role of kinases in virtually all signal transduction networks is the driving motivation for the development of compounds modulating their activity. ATP-mimetic inhibitors are essential tools for elucidating signaling pathways and are emerging as promising therapeutic agents. However, off-target ligand binding and complex and sometimes unexpected kinase/inhibitor relationships can occur for seemingly unrelated kinases, stressing that computational approaches are needed for learningdoi:10.3389/fgene.2014.00196 pmid:25071826 pmcid:PMC4075008 fatcat:qo57mpdr5veodhkujgl4dqunyu