SCHEMBL31661879

SCHEMBL31661879

Cn1ncc2cc(C(N)=O)c(Oc3ccc(OCCO[C@H]4CCCOC4)cc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.35
IRAK4 Q9NWZ3 6/20 0.34
SYK P43405 2/20 0.34
RET P07949 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
ATM Q13315 1/20 0.33
ROCK2 O75116 1/20 0.33
CHRM1 P11229 1/20 0.33
MTOR P42345 1/20 0.33
TBK1 Q9UHD2 1/20 0.32
GRM5 P41594 1/20 0.32
HTR3A P46098 1/20 0.32
JAK2 O60674 1/20 0.32
GRM4 Q14833 1/20 0.32

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
SCHEMBL31662005 1.00 SCN9A (0.35) SCN9AIRAK4SYKRETMAPK8
SCHEMBL31661902 1.00 SCN9A (0.35) SCN9AIRAK4SYKRETMAPK8
SCHEMBL31662279 0.95 IRAK4 (0.37) SCN9AIRAK4SYKRETROCK2
SCHEMBL31662162 0.95 IRAK4 (0.37) SCN9AIRAK4SYKRETROCK2
SCHEMBL31662135 0.95 IRAK4 (0.37) SCN9AIRAK4SYKRETROCK2
SCHEMBL31662165 0.90 IRAK4 (0.37) SCN9AIRAK4SYKRETROCK2
SCHEMBL31662113 0.89 SCN9A (0.39) SCN9AIRAK4SYKROCK2HTR3A
SCHEMBL31662020 0.86 IRAK4 (0.36) SCN9AIRAK4SYKRETCHRM1
SCHEMBL31661929 0.85 IRAK4 (0.37) SCN9AIRAK4SYKRETROCK2
SCHEMBL31661960 0.85 SCN1A (0.37) SCN9ASYKROCK2JAK2

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