SCHEMBL31661929

SCHEMBL31661929

Cn1ncc2cc(C(N)=O)c(Oc3ccc(OCCCOC4CCOCC4)cc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.37
SCN9A Q15858 2/20 0.36
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36
LRRK2 Q5S007 1/20 0.35
AR P10275 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
JAK2 O60674 2/20 0.34
SYK P43405 3/20 0.34
HRH3 Q9Y5N1 2/20 0.34
ROCK2 O75116 1/20 0.34
BMPR1B O00238 1/20 0.34
BMPR1A P36894 1/20 0.34
TGFBR1 P36897 1/20 0.34
ACVRL1 P37023 1/20 0.34
ACVR1 Q04771 1/20 0.34
RET P07949 1/20 0.34
HTR3A P46098 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
SCHEMBL31662165 0.96 IRAK4 (0.37) IRAK4SCN9AJAK1JAK3LRRK2
SCHEMBL31662099 0.91 JAK1 (0.35) IRAK4SCN9AJAK1JAK3LRRK2
SCHEMBL31662279 0.90 IRAK4 (0.37) IRAK4SCN9AJAK1JAK3LRRK2
SCHEMBL31662162 0.90 IRAK4 (0.37) IRAK4SCN9AJAK1JAK3LRRK2
SCHEMBL31662135 0.90 IRAK4 (0.37) IRAK4SCN9AJAK1JAK3LRRK2
SCHEMBL31661957 0.90 IRAK4 (0.36) IRAK4SCN9AJAK1JAK3LRRK2
SCHEMBL31662113 0.89 SCN9A (0.39) IRAK4SCN9ASYKROCK2HTR3A
SCHEMBL31662042 0.89 IRAK4 (0.41) IRAK4SCN9AJAK1JAK3AR
SCHEMBL31661945 0.88 LRRK2 (0.36) SCN9ALRRK2HRH3HTR3A
SCHEMBL31662428 0.88 DHODH (0.37) LRRK2HRH3

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