SCHEMBL31661904

SCHEMBL31661904

COCC(=O)N1CC(OCCOc2ccc(Oc3cc4c(cnn4C)cc3C(N)=O)cc2)C1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
SCN9A Q15858 2/20 0.34
SYK P43405 4/20 0.33
ROCK2 O75116 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
PDE1C Q14123 2/20 0.33
CHEK2 O96017 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
AXL P30530 1/20 0.32
BTK Q06187 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.31
NOTUM Q6P988 1/20 0.31
PRMT5 O14744 2/20 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
SCHEMBL31661864 0.93 SCN9A (0.34) CCNCCDK8SCN9ASYKROCK2
SCHEMBL31661890 0.92 NTRK1 (0.37) SCN9ASYKJAK2JAK1JAK3
SCHEMBL31661958 0.90 LTA4H (0.36) CCNCCDK8SCN9ASYKROCK2
SCHEMBL31661896 0.88 KDM1A (0.41) SCN9ASYKROCK2PIK3CDPIK3CA
SCHEMBL31662232 0.87 SCN9A (0.34) SCN9ASYKROCK2JAK2JAK1
SCHEMBL31662113 0.87 SCN9A (0.39) SCN9ASYKROCK2IRAK4
SCHEMBL31662291 0.85 NTRK1 (0.38) SCN9APIK3CAIRAK4
SCHEMBL31662354 0.84 SCN9A (0.38) SCN9ASYKROCK2JAK2JAK1
SCHEMBL31661991 0.84 DRD2 (0.41)
SCHEMBL31661960 0.84 SCN1A (0.37) SCN9ASYKROCK2JAK2JAK1

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