Sugi Predict

Sugi Predict / Compounds / SCHEMBL19968063

SCHEMBL19968063

SCHEMBL19968063

Cc1nc(Nc2ncc(F)c(-c3cc(F)c4nc(C)n(C(C)C)c4c3)n2)ccc1C(=O)N1CCC(N2CCOCC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 20/20 0.60
▸ CDK6 Q00534 14/20 0.60
▸ CDK1 P06493 13/20 0.60
▸ CDK2 P24941 13/20 0.60
▸ CCNB1 P14635 9/20 0.60
▸ CCNE1 P24864 9/20 0.60
▸ CDK9 P50750 7/20 0.60
▸ CDK7 P50613 5/20 0.60
▸ CCNT1 O60563 1/20 0.57
▸ CCND3 P30281 1/20 0.57

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
SCHEMBL19968054 0.94 CDK4 (0.62) CDK4CDK6CDK1CDK2CCNB1
SCHEMBL29406457 0.93 CDK4 (0.61) CDK4CDK6CDK1CDK2CCNB1
SCHEMBL19968086 0.93 CDK4 (0.61) CDK4CDK6CDK1CDK2CCNB1
SCHEMBL30926189 0.88 CDK4 (0.61) CDK4CDK6CDK1CDK2CCNB1
SCHEMBL19968031 0.88 CDK4 (0.61) CDK4CDK6CDK1CDK2CCNB1
SCHEMBL19968045 0.88 CDK4 (0.61) CDK4CDK6CDK1CDK2CCNB1
SCHEMBL19967982 0.88 CDK4 (0.60) CDK4CDK6CDK1CDK2CCNB1
SCHEMBL19968123 0.87 CDK4 (0.61) CDK4CDK6CDK1CDK2CCNB1
SCHEMBL19968061 0.87 CDK4 (0.60) CDK4CDK6CDK1CDK2CCNB1
SCHEMBL19967978 0.87 CDK4 (0.60) CDK4CDK6CDK1CDK2CCNB1

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