SCHEMBL31661957

SCHEMBL31661957

[2H]C([2H])([2H])n1ncc2cc(C(N)=O)c(Oc3ccc(OCCOC4CCOCC4)cc3)cc21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.36
TBK1 Q9UHD2 1/20 0.34
JAK1 P23458 3/20 0.34
JAK3 P52333 3/20 0.34
SCN9A Q15858 1/20 0.33
ROCK2 O75116 1/20 0.32
SYK P43405 1/20 0.32
LRRK2 Q5S007 1/20 0.31
MAPK1 P28482 1/20 0.31
CD38 P28907 1/20 0.31
CYP11B2 P19099 1/20 0.31
JAK2 O60674 2/20 0.31
PDE4B Q07343 1/20 0.31
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR3 P22607 1/20 0.31

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
SCHEMBL31662165 0.94 IRAK4 (0.37) IRAK4TBK1JAK1JAK3SCN9A
SCHEMBL31661929 0.90 IRAK4 (0.37) IRAK4TBK1JAK1JAK3SCN9A
SCHEMBL31662279 0.89 IRAK4 (0.37) IRAK4TBK1JAK1JAK3SCN9A
SCHEMBL31662162 0.89 IRAK4 (0.37) IRAK4TBK1JAK1JAK3SCN9A
SCHEMBL31662135 0.89 IRAK4 (0.37) IRAK4TBK1JAK1JAK3SCN9A
SCHEMBL31662113 0.88 SCN9A (0.39) IRAK4SCN9AROCK2SYKCD38
SCHEMBL31662142 0.87 IRAK4 (0.39) IRAK4TBK1MAPK1PDE4B
SCHEMBL31662129 0.87 MAPK1 (0.38) IRAK4TBK1JAK1JAK3SYK
SCHEMBL31661945 0.86 LRRK2 (0.36) SCN9ALRRK2MAPK1CD38
SCHEMBL31662428 0.86 DHODH (0.37) LRRK2MAPK1CD38

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