SCHEMBL31517459

SCHEMBL31517459

O=C(Cc1cnn(-c2ccccn2)c1)Nc1cc(C2CC2)[nH]n1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 20/20 0.62
▸ CCNA2 P20248 13/20 0.62
▸ CCNA1 P78396 13/20 0.62
▸ CCNE1 P24864 5/20 0.57
▸ CDK5 Q00535 2/20 0.57
▸ CDK5R1 Q15078 2/20 0.57
▸ CCNB2 O95067 1/20 0.57
▸ CCNE2 O96020 1/20 0.57
▸ CDK1 P06493 1/20 0.57
▸ CCNB1 P14635 1/20 0.57
▸ CCNB3 Q8WWL7 1/20 0.57
▸ CDK9 P50750 1/20 0.54
▸ GSK3B P49841 3/20 0.50

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
SCHEMBL31517397 0.87 CDK2 (0.55) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL31517469 0.87 CDK2 (0.56) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL31516762 0.85 CDK2 (0.58) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL31516921 0.85 CDK2 (0.58) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL31517506 0.85 CDK2 (0.52) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL31516923 0.85 CDK2 (0.62) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL31517343 0.84 CDK2 (0.55) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL31517583 0.83 CDK2 (0.60) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL31517531 0.83 CDK2 (0.60) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL31516980 0.83 CDK2 (0.60) CDK2CCNA2CCNA1CCNE1CDK5

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-2025040546-A1 PYRAZOLE COMPOUNDS AS CULLIN RING UBIQUITIN LIGASE COMPOUNDS PROXYGEN GMBH (AT) 2025-02-27 — — WO disclosed
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