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SCHEMBL19966306

SCHEMBL19966306

CCN1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4cc(F)c5cc(C)n(C(C)C)c5c4)n3)nc2)CC1C

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CDK6 Q00534 18/20 0.54
▸ CCND1 P24385 11/20 0.54
▸ CDK4 P11802 3/20 0.53
▸ CCND3 P30281 2/20 0.53
▸ PIM1 P11309 1/20 0.51
▸ DYRK2 Q92630 2/20 0.51
▸ CCNA2 P20248 1/20 0.49
▸ CDK2 P24941 1/20 0.49

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
SCHEMBL19966302 0.90 CDK6 (0.66) CDK6CCND1CDK4CCND3PIM1
SCHEMBL17488729 0.89 CDK4 (0.61) CDK6CCND1CDK4CCND3PIM1
SCHEMBL17488610 0.89 CDK4 (0.61) CDK6CCND1CDK4CCND3PIM1
SCHEMBL19966573 0.87 CDK6 (0.64) CDK6CCND1CDK4CCND3PIM1
SCHEMBL19966509 0.86 CDK6 (0.52) CDK6CCND1CDK4CCND3PIM1
SCHEMBL19966528 0.86 CDK6 (0.53) CDK6CCND1CDK4CCND3PIM1
SCHEMBL19966334 0.85 CDK6 (0.52) CDK6CCND1CDK4CCND3PIM1
SCHEMBL19966593 0.85 CDK6 (0.57) CDK6CCND1CDK4CCND3PIM1
SCHEMBL19966531 0.84 CDK6 (0.49) CDK6CCND1CDK4CCND3PIM1
SCHEMBL19966459 0.84 CDK6 (0.62) CDK6CCND1CDK4PIM1DYRK2

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-2018045957-A1 CDK4/6 INHIBITOR AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 江苏豪森药业集团有限公司 2018-03-15 — — WO disclosed