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Sugi Predict / Compounds / SCHEMBL19966593

SCHEMBL19966593

SCHEMBL19966593

Cc1cc2c(F)cc(-c3nc(Nc4ccc(C(=O)N5CCC(N)CC5)cn4)ncc3F)cc2n1C(C)C

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CDK6 Q00534 16/20 0.57
▸ CDK4 P11802 3/20 0.57
▸ PIM1 P11309 2/20 0.54
▸ CCND1 P24385 7/20 0.53
▸ DYRK2 Q92630 4/20 0.53
▸ CCND3 P30281 1/20 0.52
▸ CDK2 P24941 1/20 0.52
▸ CDK5 Q00535 1/20 0.52

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
SCHEMBL19966605 0.92 CDK6 (0.57) CDK6CDK4PIM1CCND1DYRK2
SCHEMBL19966599 0.90 CDK6 (0.55) CDK6CDK4PIM1CCND1DYRK2
SCHEMBL19966459 0.90 CDK6 (0.62) CDK6CDK4PIM1CCND1DYRK2
SCHEMBL19966302 0.89 CDK6 (0.66) CDK6CDK4PIM1CCND1DYRK2
SCHEMBL19966528 0.88 CDK6 (0.53) CDK6CDK4PIM1CCND1DYRK2
SCHEMBL19966333 0.88 CDK6 (0.55) CDK6CDK4PIM1CCND1DYRK2
SCHEMBL19966576 0.87 CDK6 (0.52) CDK6CDK4PIM1CCND1DYRK2
SCHEMBL19966577 0.87 CDK6 (0.59) CDK6CDK4PIM1CCND1DYRK2
SCHEMBL19966594 0.87 CDK6 (0.52) CDK6CDK4PIM1CCND1DYRK2
SCHEMBL19966652 0.87 CDK6 (0.52) CDK6CDK4PIM1CCND1DYRK2

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