SCHEMBL31662279

SCHEMBL31662279

Cn1ncc2cc(C(N)=O)c(Oc3ccc(OCCOC4CCOC4)cc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.37
SCN9A Q15858 1/20 0.36
CHRM1 P11229 1/20 0.35
TYK2 P29597 5/20 0.34
JAK1 P23458 3/20 0.34
JAK3 P52333 3/20 0.34
JAK2 O60674 2/20 0.34
SYK P43405 3/20 0.34
ROCK2 O75116 1/20 0.34
LRRK2 Q5S007 1/20 0.33
RET P07949 1/20 0.33
ATF4 P18848 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
MAPK3 P27361 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 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
SCHEMBL31662162 1.00 IRAK4 (0.37) IRAK4SCN9ACHRM1TYK2JAK1
SCHEMBL31662135 1.00 IRAK4 (0.37) IRAK4SCN9ACHRM1TYK2JAK1
SCHEMBL31662005 0.95 SCN9A (0.35) IRAK4SCN9ACHRM1JAK2SYK
SCHEMBL31661902 0.95 SCN9A (0.35) IRAK4SCN9ACHRM1JAK2SYK
SCHEMBL31661879 0.95 SCN9A (0.35) IRAK4SCN9ACHRM1JAK2SYK
SCHEMBL31662165 0.95 IRAK4 (0.37) IRAK4SCN9AJAK1JAK3JAK2
SCHEMBL31661929 0.90 IRAK4 (0.37) IRAK4SCN9AJAK1JAK3JAK2
SCHEMBL31662113 0.90 SCN9A (0.39) IRAK4SCN9ASYKROCK2
SCHEMBL31662020 0.89 IRAK4 (0.36) IRAK4SCN9ACHRM1JAK1JAK3
SCHEMBL31662019 0.89 IRAK4 (0.36) IRAK4SCN9ACHRM1JAK1JAK3

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