SCHEMBL24711166

SCHEMBL24711166

CSc1ncc2cc(NC(=O)OC(C)(C)C)c(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 20/20 0.43
CDK2 P24941 20/20 0.43
CCND1 P24385 19/20 0.43
CDK6 Q00534 19/20 0.43
CDK4 P11802 3/20 0.42
CCNT1 O60563 2/20 0.42
CDK9 P50750 2/20 0.42
CCND3 P30281 2/20 0.41

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
SCHEMBL4826111 0.86 OPRM1 (0.42) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL29594767 0.86 OPRM1 (0.42) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL25907793 0.79 CCNE1 (0.58) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL25907827 0.79 CCNE1 (0.58) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL19857394 0.79 CCND1 (0.59) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL30550184 0.77 CCNE1 (0.51) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL29990631 0.77 CCND1 (0.51) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL22860690 0.76 CCNE1 (0.46) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL29507797 0.76 CCNE1 (0.46) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL29991117 0.76 CCND1 (0.61) CCNE1CDK2CCND1CDK6CDK4

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-2022258023-A1 COMPOUND AS CDK KINASE INHIBITOR AND USE THEREOF 郑州同源康医药有限公司 2022-12-15 WO disclosed