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SCHEMBL19967971

SCHEMBL19967971

Cc1nc(Nc2ncc(F)c(-c3cc(F)c4nc(C)n(C(C)C)c4c3)n2)ccc1C(=O)N1CCCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 20/20 0.62
▸ CDK6 Q00534 18/20 0.62
▸ CCND1 P24385 1/20 0.62
▸ CCND3 P30281 1/20 0.62
▸ CDK2 P24941 17/20 0.60
▸ CDK1 P06493 7/20 0.57
▸ CDK9 P50750 5/20 0.57
▸ CCNB1 P14635 3/20 0.56
▸ CCNE1 P24864 3/20 0.56
▸ CDK7 P50613 4/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19968032 0.90 CDK4 (0.63) CDK4CDK6CDK2CDK1CDK9
SCHEMBL19968040 0.88 CDK4 (0.66) CDK4CDK6CCND1CCND3CDK2
SCHEMBL19968034 0.87 CDK4 (0.64) CDK4CDK6CCND1CCND3CDK2
SCHEMBL19966465 0.87 CDK4 (0.64) CDK4CDK6CCND1CCND3CDK2
SCHEMBL19968116 0.87 CDK4 (0.64) CDK4CDK6CCND1CCND3CDK2
SCHEMBL19967972 0.86 CDK4 (0.60) CDK4CDK6CDK2CDK1CDK9
SCHEMBL19968017 0.86 CDK4 (0.68) CDK4CDK6CDK2CDK1CDK9
SCHEMBL29405569 0.86 CDK4 (0.68) CDK4CDK6CDK2CDK1CDK9
SCHEMBL15252517 0.86 CDK4 (0.66) CDK4CDK6CCND1CCND3CDK2
SCHEMBL19968054 0.86 CDK4 (0.62) CDK4CDK6CCND3CDK2CDK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018045956-A1 BENZIMIDAZOLE COMPOUND KINASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 江苏豪森药业集团有限公司 2018-03-15 — — WO disclosed