Perhaps the most interesting use of CMap is to functionally annotate previously uncharacterized small molecules. For example, we discovered a novel inhibitor of the casein kinase CSNK1A1 – a newly emerging protein essential for survival of certain myeloid malignancies and also implicated in EGFR inhibitor resistance. The compound, BRD-1868, was discovered entirely through computational analysis; no laboratory experiments were needed to generate the CSNK1A1 inhibitory hypothesis. We note that this discovery underscores the value of having a large-scale compendium of genetic and pharmacologic perturbations.
