SCHEMBL24132128

SCHEMBL24132128

CN(C)CCS(=O)(=O)N1CCC(Nc2ncc3ccc(=O)n([C@@H]4CCC[C@@]4(C)O)c3n2)CC1

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCND1 P24385 20/20 0.83
▸ CCNE1 P24864 20/20 0.83
▸ CDK2 P24941 20/20 0.83
▸ CDK6 Q00534 20/20 0.83
▸ CCNT1 O60563 1/20 0.76
▸ CDK4 P11802 1/20 0.76
▸ CCND3 P30281 1/20 0.76
▸ CDK9 P50750 1/20 0.76

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
SCHEMBL24132125 0.92 CCND1 (0.86) CCND1CCNE1CDK2CDK6CCNT1
SCHEMBL19857342 0.91 CCND1 (1.00) CCND1CCNE1CDK2CDK6CCNT1
SCHEMBL19863626 0.91 CCND1 (1.00) CCND1CCNE1CDK2CDK6CCNT1
SCHEMBL23290061 0.91 CCND1 (1.00) CCND1CCNE1CDK2CDK6CCNT1
SCHEMBL19863624 0.89 CCND1 (1.00) CCND1CCNE1CDK2CDK6CCNT1
SCHEMBL20991964 0.89 CCND1 (1.00) CCND1CCNE1CDK2CDK6CCNT1
SCHEMBL23290060 0.89 CCND1 (1.00) CCND1CCNE1CDK2CDK6CCNT1
SCHEMBL19863623 0.89 CCND1 (1.00) CCND1CCNE1CDK2CDK6CCNT1
SCHEMBL19857433 0.89 CCND1 (1.00) CCND1CCNE1CDK2CDK6CCNT1
SCHEMBL19863620 0.89 CCND1 (1.00) CCND1CCNE1CDK2CDK6CCNT1

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-2021254384-A1 NOVEL PYRIDO[2,3-D]PYRIMIDINE-7(8H)-ONE DERIVATIVE 微境生物医药科技(上海)有限公司 2021-12-23 — — WO disclosed
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