SCHEMBL31662071

SCHEMBL31662071

Cn1ncc2cc(C(N)=O)c(Oc3ccc(OCCOC4C[C@H]5CC[C@@H](C4)N5)cc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.38
SYK P43405 3/20 0.34
ROCK2 O75116 1/20 0.34
HAO1 Q9UJM8 2/20 0.34
KDM1A O60341 2/20 0.33
CTSC P53634 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
CACNA1H O95180 1/20 0.32
PDE1C Q14123 2/20 0.32
RCOR1 Q9UKL0 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
SCHEMBL31662113 0.91 SCN9A (0.39) SCN9ASYKROCK2HAO1IRAK4
SCHEMBL31662133 0.90 OPRK1 (0.38) SCN9ASYKROCK2
SCHEMBL31662124 0.89 SCN9A (0.36) SCN9ASYKROCK2HAO1
SCHEMBL31661875 0.89 SCN9A (0.40) SCN9ASYKROCK2HAO1KDM1A
SCHEMBL31662354 0.88 SCN9A (0.38) SCN9ASYKROCK2HAO1KDM1A
SCHEMBL31661960 0.88 SCN1A (0.37) SCN9ASYKROCK2JAK2JAK1
SCHEMBL31662152 0.87 SCN9A (0.35) SCN9ASYKROCK2HAO1KDM1A
SCHEMBL31662165 0.87 IRAK4 (0.37) SCN9ASYKROCK2JAK2JAK1
SCHEMBL31661999 0.86 SCN9A (0.36) SCN9ASYKROCK2HAO1JAK2
SCHEMBL31661896 0.85 KDM1A (0.41) SCN9ASYKROCK2KDM1A

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