SCHEMBL31662092

SCHEMBL31662092

COC(C)(C)CCOc1ccc(Oc2cc3c(cnn3C)cc2C(N)=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.37
ROCK2 O75116 1/20 0.35
HAO1 Q9UJM8 2/20 0.35
SCN9A Q15858 3/20 0.34
AR P10275 1/20 0.34
MCL1 Q07820 2/20 0.33
NOTUM Q6P988 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK10 P53779 1/20 0.33
MCHR1 Q99705 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE1C Q14123 2/20 0.33
CACNA1H O95180 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL31662453 0.86 MKNK1 (0.39) SYKROCK2HAO1SCN9AAR
SCHEMBL31662511 0.85 SYK (0.38) SYKHAO1SCN9AARMCL1
SCHEMBL31662493 0.84 L3MBTL1 (0.41) SYKHAO1SCN9AARMCL1
SCHEMBL31662421 0.81 MCL1 (0.44) SYKHAO1SCN9AARMCL1
SCHEMBL31662557 0.81 SYK (0.41) SYKROCK2HAO1MCL1NOTUM
SCHEMBL31662505 0.81 CA12 (0.48) ROCK2SCN9ACACNA1H
SCHEMBL31662483 0.81 SYK (0.41) SYKHAO1SCN9AARNOTUM
SCHEMBL31662113 0.80 SCN9A (0.39) SYKROCK2HAO1SCN9ACACNA1H
SCHEMBL31662354 0.80 SCN9A (0.38) SYKROCK2HAO1SCN9APDE1C
SCHEMBL31662602 0.79 PARP10 (0.46) SYKARMCL1MCHR1SMN1; SMN2

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-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO claimed
WO-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO disclosed