SCHEMBL31516818

SCHEMBL31516818

O=C(Cc1cnn(-c2cccc(Cl)n2)c1)Nc1cc(C2CC2)n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.40
▸ CDK2 P24941 19/20 0.37
▸ CCNA2 P20248 7/20 0.37
▸ CCNA1 P78396 7/20 0.37
▸ CCNE1 P24864 13/20 0.37
▸ CCNB2 O95067 1/20 0.37
▸ CCNE2 O96020 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ CCNB1 P14635 1/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ CDK5R1 Q15078 1/20 0.37
▸ CCNB3 Q8WWL7 1/20 0.37
▸ GSK3B P49841 10/20 0.36

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
SCHEMBL31517006 0.90 P2RX7 (0.39) P2RX7CDK2CCNA2CCNA1CCNE1
SCHEMBL31516854 0.88 P2RX7 (0.39) P2RX7CDK2CCNA2CCNA1CCNE1
SCHEMBL31516924 0.88 P2RX7 (0.44) P2RX7CDK2CCNA2CCNA1CCNE1
SCHEMBL31516982 0.85 KCNQ2 (0.39) CDK2CCNA2CCNA1CCNE1CCNB2
SCHEMBL31516921 0.84 CDK2 (0.58) CDK2CCNA2CCNA1CCNE1CCNB2
SCHEMBL31516892 0.83 CDK2 (0.35) CDK2CCNA2CCNA1CCNE1CCNB2
SCHEMBL31587153 0.82 CDK2 (0.36) CDK2CCNA2CCNA1CCNE1CCNB2
SCHEMBL31517227 0.81 CDK2 (0.44) CDK2CCNA2CCNA1CCNE1GSK3B
SCHEMBL31516942 0.81 KCNQ2 (0.40) CDK2CCNA2CCNA1CCNE1CDK1
SCHEMBL31516947 0.81 CDK2 (0.44) P2RX7CDK2CCNA2CCNA1CDK1

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