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Sugi Predict / Compounds / SCHEMBL19968031

SCHEMBL19968031

SCHEMBL19968031

Cc1nc(Nc2ncc(F)c(-c3cc(F)c4nc(C)n(C(C)C)c4c3)n2)ccc1C(=O)N1CCC(NC2CC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 20/20 0.61
▸ CDK2 P24941 17/20 0.61
▸ CDK6 Q00534 17/20 0.61
▸ CDK1 P06493 9/20 0.61
▸ CCNB1 P14635 5/20 0.61
▸ CCNE1 P24864 5/20 0.61
▸ CDK9 P50750 6/20 0.59
▸ CDK7 P50613 5/20 0.59

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
SCHEMBL30926189 1.00 CDK4 (0.61) CDK4CDK2CDK6CDK1CCNB1
SCHEMBL19968061 0.97 CDK4 (0.60) CDK4CDK2CDK6CDK1CCNB1
SCHEMBL19967978 0.97 CDK4 (0.60) CDK4CDK2CDK6CDK1CCNB1
SCHEMBL19968130 0.96 CDK4 (0.66) CDK4CDK2CDK6CDK1CCNB1
SCHEMBL19968047 0.96 CDK4 (0.59) CDK4CDK2CDK6CDK1CCNB1
SCHEMBL19968122 0.95 CDK4 (0.58) CDK4CDK2CDK6CDK1CCNB1
SCHEMBL19968045 0.94 CDK4 (0.61) CDK4CDK2CDK6CDK1CCNB1
SCHEMBL19968036 0.94 CDK4 (0.62) CDK4CDK2CDK6CDK1CCNB1
SCHEMBL19968120 0.94 CDK4 (0.58) CDK4CDK2CDK6CDK1CCNB1
SCHEMBL19967989 0.93 CDK4 (0.57) CDK4CDK2CDK6CDK1CCNB1

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