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Sugi Predict / Compounds / SCHEMBL19966596

SCHEMBL19966596

SCHEMBL19966596

Cc1cc(C(=O)N2CCC3NCCC3C2)cnc1Nc1ncc(F)c(-c2cc(F)c3cc(C)n(C(C)C)c3c2)n1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK6 Q00534 15/20 0.44
▸ CDK4 P11802 15/20 0.44
▸ CCND1 P24385 10/20 0.44
▸ CCND3 P30281 10/20 0.44
▸ CDK2 P24941 6/20 0.44
▸ CDK1 P06493 5/20 0.44
▸ CDK5 Q00535 1/20 0.40
▸ CSF1R P07333 1/20 0.39
▸ CCNB1 P14635 1/20 0.38
▸ CCNE1 P24864 1/20 0.38

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
SCHEMBL19966574 0.89 CDK6 (0.52) CDK6CDK4CCND1CCND3CDK2
SCHEMBL19966594 0.89 CDK6 (0.52) CDK6CDK4CCND1CCND3CDK2
SCHEMBL19966595 0.85 CDK6 (0.52) CDK6CDK4CCND1CCND3CDK2
SCHEMBL19966597 0.85 CDK4 (0.45) CDK6CDK4CCND1CCND3CDK2
SCHEMBL19966576 0.81 CDK6 (0.52) CDK6CDK4CCND1CCND3CDK2
SCHEMBL19966652 0.79 CDK6 (0.52) CDK6CDK4CCND1CCND3CDK2
SCHEMBL19966592 0.78 CDK6 (0.48) CDK6CDK4CCND1CDK2CDK1
SCHEMBL19966528 0.77 CDK6 (0.53) CDK6CDK4CCND1CCND3CDK2
SCHEMBL19966593 0.77 CDK6 (0.57) CDK6CDK4CCND1CCND3CDK2
SCHEMBL19966459 0.77 CDK6 (0.62) CDK6CDK4CCND1

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