SCHEMBL31661864

SCHEMBL31661864

Cn1ncc2cc(C(N)=O)c(Oc3ccc(OCCOC4CN(C(=O)CO)C4)cc3)cc21

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.34
ROCK2 O75116 3/20 0.34
SYK P43405 3/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
HAO1 Q9UJM8 2/20 0.32
NTRK1 P04629 1/20 0.32
KCNH2 Q12809 1/20 0.32
NTRK2 Q16620 1/20 0.32
KDM1A O60341 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
SCHEMBL31661904 0.93 CCNC (0.34) SCN9AROCK2SYKJAK1JAK3
SCHEMBL31662291 0.92 NTRK1 (0.38) SCN9AIRAK4NTRK1KCNH2NTRK2
SCHEMBL31661958 0.91 LTA4H (0.36) SCN9AROCK2SYKCCNCCDK8
SCHEMBL31661896 0.90 KDM1A (0.41) SCN9AROCK2SYKKDM1A
SCHEMBL31662113 0.88 SCN9A (0.39) SCN9AROCK2SYKIRAK4HAO1
SCHEMBL31662354 0.86 SCN9A (0.38) SCN9AROCK2SYKJAK1JAK3
SCHEMBL31661890 0.85 NTRK1 (0.37) SCN9ASYKJAK1JAK3NTRK1
SCHEMBL31661960 0.85 SCN1A (0.37) SCN9AROCK2SYKJAK1JAK3
SCHEMBL31661986 0.84 CHEK2 (0.40) SCN9AJAK3IRAK4NTRK1KCNH2
SCHEMBL31661875 0.84 SCN9A (0.40) SCN9AROCK2SYKIRAK4HAO1

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