SCHEMBL31538947

SCHEMBL31538947

CS(=O)(=O)N1CCC(Nc2ncc3ccccc3n2)CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 19/20 0.62
▸ CCNE1 P24864 17/20 0.62
▸ CCND1 P24385 10/20 0.58
▸ CDK4 P11802 9/20 0.58
▸ CDK6 Q00534 8/20 0.58
▸ CCNT1 O60563 7/20 0.58
▸ CDK9 P50750 7/20 0.58
▸ CDK1 P06493 3/20 0.54
▸ IKBKB O14920 1/20 0.53
▸ CCNB2 O95067 1/20 0.53
▸ CCNE2 O96020 1/20 0.53
▸ CCNB1 P14635 1/20 0.53
▸ CDK5 Q00535 1/20 0.53
▸ CDK5R1 Q15078 1/20 0.53
▸ CCNB3 Q8WWL7 1/20 0.53

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
SCHEMBL29594774 0.83 CDK2 (0.56) CDK2CCNE1CCND1CDK4CDK6
SCHEMBL30726201 0.82 CDK2 (0.55) CDK2CCNE1CCND1CDK4CDK6
SCHEMBL27033299 0.82 CDK2 (0.55) CDK2CCNE1CCND1CDK4CDK6
SCHEMBL1517393 0.82 CCNE1 (0.53) CDK2CCNE1CCND1CDK4CDK6
SCHEMBL27061762 0.80 CDK2 (0.53) CDK2CCNE1CCND1CDK4CDK6
SCHEMBL30804785 0.80 CDK2 (0.53) CDK2CCNE1CCND1CDK4CDK6
SCHEMBL4852570 0.80 CCNE1 (0.55) CDK2CCNE1CCND1CDK4CDK6
SCHEMBL1516739 0.80 CDK2 (0.55) CDK2CCNE1CCND1CDK4CDK6
SCHEMBL30804793 0.79 CDK2 (0.58) CDK2CCNE1CCND1CDK4CDK6
SCHEMBL27358142 0.79 CDK2 (0.53) CDK2CCNE1CCND1CDK4CDK6

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
CN-119894880-A Quinazoline compounds and methods of use 依安彼克医疗有限公司 2025-04-25 — — CN disclosed
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