SCHEMBL31586980

SCHEMBL31586980

O=C(Cc1ccn(-c2ccc(F)c(F)c2)n1)Nc1cc(C2CC2)[nH]n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 19/20 0.53
▸ CCNA2 P20248 11/20 0.53
▸ CCNA1 P78396 11/20 0.53
▸ CCNE1 P24864 8/20 0.49
▸ CCNB2 O95067 1/20 0.48
▸ CCNE2 O96020 1/20 0.48
▸ CDK1 P06493 1/20 0.48
▸ CCNB1 P14635 1/20 0.48
▸ CDK5 Q00535 1/20 0.48
▸ CDK5R1 Q15078 1/20 0.48
▸ CCNB3 Q8WWL7 1/20 0.48
▸ GSK3B P49841 3/20 0.47
▸ AR P10275 1/20 0.47

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
SCHEMBL31587341 0.92 CDK2 (0.50) CDK2CCNA2CCNA1CCNE1CCNB2
SCHEMBL31587544 0.92 CDK2 (0.50) CDK2CCNA2CCNA1CCNE1CCNB2
SCHEMBL31587239 0.90 CDK2 (0.54) CDK2CCNA2CCNA1CCNE1CCNB2
SCHEMBL31587018 0.86 CDK2 (0.56) CDK2CCNA2CCNA1CCNE1CCNB2
SCHEMBL31586964 0.84 CDK2 (0.60) CDK2CCNA2CCNA1CCNE1CCNB2
SCHEMBL31587057 0.83 AR (0.47) AR
SCHEMBL31587358 0.81 CDK2 (0.53) CDK2CCNA2CCNA1CCNE1CCNB2
SCHEMBL31587680 0.79 CCNA2 (0.55) CDK2CCNA2CCNA1CCNE1CCNB2
SCHEMBL31587799 0.79 CCNA2 (0.55) CDK2CCNA2CCNA1CCNE1CCNB2
SCHEMBL5867836 0.79 CDK2 (0.75) CDK2CCNA2CCNA1CCNE1CCNB2

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
WO-2025104236-A1 PYRAZOLE COMPOUNDS AS CULLIN RING UBIQUITIN LIGASE COMPOUNDS PROXYGEN GMBH (AT) 2025-05-22 — — WO claimed
WO-2025104236-A1 PYRAZOLE COMPOUNDS AS CULLIN RING UBIQUITIN LIGASE COMPOUNDS PROXYGEN GMBH (AT) 2025-05-22 — — WO disclosed
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