SCHEMBL31587057

SCHEMBL31587057

O=C(Cc1ccn(-c2ccc(F)c(F)c2)n1)Nc1cc(C2CC2)n[nH]1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 14/20 0.47
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ SIGMAR1 Q99720 2/20 0.42
▸ CACNA1H O95180 2/20 0.41
▸ CACNA1G O43497 1/20 0.41
▸ CACNA1I Q9P0X4 1/20 0.41
▸ FAAH O00519 1/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ CRACR2A Q9BSW2 1/20 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
SCHEMBL31587271 0.93 AR (0.49) ARSIGMAR1CACNA1HCACNA1GCACNA1I
SCHEMBL31587232 0.92 AR (0.42) ARCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL31587022 0.90 AR (0.49) ARCRACR2A
SCHEMBL31586967 0.87 KCNJ6 (0.41) ARCRACR2A
SCHEMBL31587666 0.84 CDK2 (0.40) ARCACNA1HCACNA1GCACNA1ICRACR2A
SCHEMBL31586980 0.83 CDK2 (0.53) AR
SCHEMBL31587320 0.80 CCNE1 (0.39) ARCACNA1HCACNA1GCACNA1ICRACR2A
SCHEMBL31587062 0.80 CDK2 (0.37) ARCRACR2A
SCHEMBL31587581 0.79 FAAH (0.42) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL31587024 0.79 CRACR2A (0.44) CYP3A4SIGMAR1CRACR2A

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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