SCHEMBL31662520

SCHEMBL31662520

Cn1ncc2cc(C(N)=O)c(Oc3ccc(O)cc3F)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.40
MAPK14 Q16539 1/20 0.39
SYK P43405 1/20 0.38
PLK4 O00444 1/20 0.38
NTRK1 P04629 1/20 0.38
RET P07949 1/20 0.38
MET P08581 1/20 0.38
AXL P30530 1/20 0.38
KDR P35968 1/20 0.38
FLT3 P36888 1/20 0.38
MST1R Q04912 1/20 0.38
DDR1 Q08345 1/20 0.38
MERTK Q12866 1/20 0.38
CAMK4 Q16566 1/20 0.38
DDR2 Q16832 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
CACNA1H O95180 5/20 0.38
SCN9A Q15858 1/20 0.37
MAOB P27338 2/20 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
SCHEMBL31662618 0.88 CACNA1H (0.41) MAPK14SYKPLK4NTRK1RET
SCHEMBL31662483 0.84 SYK (0.41) ARSYKSCN9A
SCHEMBL31662441 0.82 SCN9A (0.37) ARMAPK14SYKPLK4NTRK1
SCHEMBL31662208 0.78 HPGD (0.42) NTRK1SCN9ALMNAHTT
SCHEMBL31662288 0.78 AR (0.40) ARMAPK14SCN9AMAOBMAOA
SCHEMBL31662521 0.78 SCN9A (0.41) ARSYKMETKDRSCN9A
SCHEMBL30987739 0.77 KDM4E (0.44) ARSYKMKNK1MKNK2CACNA1H
SCHEMBL31169520 0.76 AR (0.47) ARSYKMETCACNA1HSCN9A
SCHEMBL27273912 0.76 AR (0.47) ARSYKMETCACNA1HSCN9A
SCHEMBL31662453 0.76 MKNK1 (0.39) ARSYKMKNK1MKNK2CACNA1H

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