SCHEMBL31662618

SCHEMBL31662618

COC(=O)c1cc2cnn(C)c2cc1Oc1ccc(O)cc1F.COC(=O)c1cc2cnn(C)c2cc1Oc1ccc(O)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 9/20 0.41
SCN9A Q15858 1/20 0.40
MAPK14 Q16539 1/20 0.40
PDE1C Q14123 2/20 0.40
PLK4 O00444 1/20 0.39
NTRK1 P04629 1/20 0.39
RET P07949 1/20 0.39
MET P08581 1/20 0.39
AXL P30530 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39
MST1R Q04912 1/20 0.39
DDR1 Q08345 1/20 0.39
MERTK Q12866 1/20 0.39
CAMK4 Q16566 1/20 0.39
DDR2 Q16832 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
EGFR P00533 1/20 0.39
MAOB P27338 2/20 0.38

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
SCHEMBL31662520 0.88 AR (0.40) CACNA1HSCN9AMAPK14PLK4NTRK1
SCHEMBL31662194 0.84 SCN9A (0.43) CACNA1HSCN9APDE1CEGFRCA12
SCHEMBL31662264 0.83 SCN9A (0.40) CACNA1HSCN9AMAPK14PDE1CPLK4
SCHEMBL31662265 0.83 SCN9A (0.40) CACNA1HSCN9AMAPK14PDE1CPLK4
SCHEMBL31662635 0.82 SCN9A (0.48) CACNA1HSCN9APDE1CMAOBCA12
SCHEMBL27273910 0.78 PDE1C (0.46) CACNA1HSCN9APDE1CMAOBMAOA
SCHEMBL31169517 0.78 PDE1C (0.46) CACNA1HSCN9APDE1CMAOBMAOA
SCHEMBL31662084 0.78 MAOB (0.36) CACNA1HMAOBCA12CA1CA2
SCHEMBL31662169 0.78 SCN9A (0.44) CACNA1HSCN9APDE1CMAOB
SCHEMBL31662415 0.76 SCN9A (0.46) CACNA1HSCN9APDE1CMAOBMAOA

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