SCHEMBL29507679

SCHEMBL29507679

CS(=O)(=O)c1ncc2ccc(=O)n(C3C[C@@H]4C[C@@H]4C3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.48
CCNE1 P24864 19/20 0.48
CCND1 P24385 16/20 0.48
CDK6 Q00534 15/20 0.48
CDK4 P11802 6/20 0.48
CCNT1 O60563 4/20 0.48
CDK9 P50750 4/20 0.48
CCND3 P30281 2/20 0.45
FGFR1 P11362 1/20 0.40
CCNA2 P20248 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40
FGFR3 P22607 1/20 0.40
CCND2 P30279 1/20 0.40

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
SCHEMBL22860376 0.88 CCNE1 (0.44) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL29640940 0.86 CCND1 (0.60) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL19857389 0.86 CCND1 (0.60) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL22860370 0.82 CCND1 (0.49) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL29798894 0.81 CCNE1 (0.65) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL19863588 0.81 CCNE1 (0.65) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL22860647 0.80 CCND1 (0.60) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL29508883 0.80 CCND1 (0.60) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL29508885 0.80 CCND1 (0.60) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL29507717 0.78 CCND1 (0.42) CDK2CCNE1CCND1CDK6CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3993802-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Nuvation Bio Inc. (US) 2022-05-11 EP disclosed
CN-114340634-A Heterocyclic compounds as kinase inhibitors 诺维逊生物股份有限公司 2022-04-12 CN disclosed