SCHEMBL31662354

SCHEMBL31662354

Cn1ncc2cc(C(N)=O)c(Oc3ccc(OCCOC4CNC4)cc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.38
HAO1 Q9UJM8 2/20 0.35
ROCK2 O75116 1/20 0.35
IRAK4 Q9NWZ3 3/20 0.35
SYK P43405 3/20 0.34
PDE1C Q14123 2/20 0.33
PRMT5 O14744 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
KDM1A O60341 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
SCHEMBL31662113 0.92 SCN9A (0.39) SCN9AHAO1ROCK2IRAK4SYK
SCHEMBL31661875 0.91 SCN9A (0.40) SCN9AHAO1ROCK2IRAK4SYK
SCHEMBL31662071 0.88 SCN9A (0.38) SCN9AHAO1ROCK2IRAK4SYK
SCHEMBL31661960 0.88 SCN1A (0.37) SCN9AROCK2SYKJAK2JAK1
SCHEMBL31661958 0.87 LTA4H (0.36) SCN9AHAO1ROCK2IRAK4SYK
SCHEMBL31662165 0.87 IRAK4 (0.37) SCN9AROCK2IRAK4SYKJAK2
SCHEMBL31662133 0.86 OPRK1 (0.38) SCN9AROCK2SYK
SCHEMBL31661999 0.86 SCN9A (0.36) SCN9AHAO1ROCK2IRAK4SYK
SCHEMBL31662162 0.86 IRAK4 (0.37) SCN9AROCK2IRAK4SYKJAK2
SCHEMBL31662135 0.86 IRAK4 (0.37) SCN9AROCK2IRAK4SYKJAK2

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