SCHEMBL31662441

SCHEMBL31662441

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.37
AR P10275 1/20 0.36
PDE3B Q13370 3/20 0.35
PDE3A Q14432 3/20 0.35
P2RY12 Q9H244 1/20 0.35
ROCK2 O75116 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
MAPK14 Q16539 1/20 0.35
PPARG P37231 2/20 0.35
PLK4 O00444 1/20 0.35
NTRK1 P04629 1/20 0.35
RET P07949 1/20 0.35
MET P08581 1/20 0.35
AXL P30530 1/20 0.35
KDR P35968 1/20 0.35
FLT3 P36888 1/20 0.35
MST1R Q04912 1/20 0.35
DDR1 Q08345 1/20 0.35
MERTK Q12866 1/20 0.35
CAMK4 Q16566 1/20 0.35

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
SCHEMBL31662208 0.88 HPGD (0.42) SCN9APDE3BPDE3AP2RY12NTRK1
SCHEMBL31662493 0.88 L3MBTL1 (0.41) SCN9AARPDE3BPDE3AP2RY12
SCHEMBL31661937 0.88 PDE3B (0.39) SCN9APDE3BPDE3AP2RY12ROCK2
SCHEMBL31662130 0.86 PARP1 (0.40) SCN9APDE3BPDE3AP2RY12ROCK2
SCHEMBL31662140 0.86 GAA (0.46) ARPDE3BPDE3AP2RY12NTRK1
SCHEMBL31662211 0.85 NTRK1 (0.40) NTRK1PARP10
SCHEMBL31662000 0.84 DRD4 (0.34) SCN9AARROCK2PLK4NTRK1
SCHEMBL31662381 0.82 SCN9A (0.37) SCN9AARPPARGFFAR1PPARD
SCHEMBL31662520 0.82 AR (0.40) SCN9AARROCK2MAPK14PLK4
SCHEMBL31662453 0.80 MKNK1 (0.39) SCN9AARROCK2MKNK1MKNK2

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