SCHEMBL28491306

SCHEMBL28491306

Cc1nc(Nc2ncc(F)c(-c3cc(F)c4nc(C)n(C(C)C)c4c3)n2)ccc1C(=O)N1CCC2NCCC2C1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.57
CDK6 Q00534 17/20 0.57
CDK2 P24941 13/20 0.57
CDK1 P06493 7/20 0.57
CCNB1 P14635 5/20 0.57
CCNE1 P24864 5/20 0.57
CCND1 P24385 4/20 0.56
CCND3 P30281 4/20 0.56
CDK9 P50750 4/20 0.55
CDK7 P50613 3/20 0.55

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
SCHEMBL19967988 0.95 CDK4 (0.58) CDK4CDK6CDK2CDK1CCNB1
SCHEMBL19968021 0.90 CDK4 (0.58) CDK4CDK6CDK2CDK1CCNB1
SCHEMBL19966597 0.90 CDK4 (0.45) CDK4CDK6CDK2CDK1CCNB1
SCHEMBL19968042 0.89 CDK4 (0.60) CDK4CDK6CDK2CDK1CCNB1
SCHEMBL19967981 0.88 CDK4 (0.58) CDK4CDK6CDK2CDK1CCNB1
SCHEMBL29405522 0.88 CDK4 (0.58) CDK4CDK6CDK2CDK1CCNB1
SCHEMBL19967982 0.87 CDK4 (0.60) CDK4CDK6CDK2CDK1CCNB1
SCHEMBL19968031 0.86 CDK4 (0.61) CDK4CDK6CDK2CDK1CCNB1
SCHEMBL19968045 0.86 CDK4 (0.61) CDK4CDK6CDK2CDK1CCNB1
SCHEMBL30926189 0.86 CDK4 (0.61) CDK4CDK6CDK2CDK1CCNB1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112225724-B Benzimidazole compound kinase inhibitor and preparation method and application thereof 江苏豪森药业集团有限公司 2022-04-29 CN disclosed
CN-112250669-B Benzimidazole compound kinase inhibitor and preparation method and application thereof 江苏豪森药业集团有限公司 2022-02-25 CN disclosed
CN-112250669-A Benzimidazole compound kinase inhibitor and preparation method and application thereof 江苏豪森药业集团有限公司 2021-01-22 CN disclosed
CN-112225724-A Benzimidazole compound kinase inhibitor and preparation method and application thereof 江苏豪森药业集团有限公司 2021-01-15 CN disclosed
CN-109963842-B Benzimidazole compound kinase inhibitor and preparation method and application thereof 江苏豪森药业集团有限公司 2020-11-03 CN disclosed