SCHEMBL31661896

SCHEMBL31661896

Cn1ncc2cc(C(N)=O)c(Oc3ccc(OCCOC4CN(C(=O)C5CC5)C4)cc3)cc21

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.41
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
FASN P49327 12/20 0.36
SCN9A Q15858 1/20 0.36
SYK P43405 2/20 0.34
ROCK2 O75116 1/20 0.34

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
SCHEMBL31662101 0.92 MAPT (0.38) KDM1AFASNSCN9A
SCHEMBL31661958 0.91 LTA4H (0.36) SCN9ASYKROCK2
SCHEMBL31662113 0.90 SCN9A (0.39) SCN9ASYKROCK2
SCHEMBL31661864 0.90 SCN9A (0.34) KDM1ASCN9ASYKROCK2
SCHEMBL31661904 0.88 CCNC (0.34) PIK3CDPIK3CASCN9ASYKROCK2
SCHEMBL31661960 0.87 SCN1A (0.37) SCN9ASYKROCK2
SCHEMBL31661986 0.86 CHEK2 (0.40) SCN9A
SCHEMBL31662165 0.86 IRAK4 (0.37) SCN9ASYKROCK2
SCHEMBL31661875 0.86 SCN9A (0.40) KDM1ASCN9ASYKROCK2
SCHEMBL31662354 0.86 SCN9A (0.38) KDM1ASCN9ASYKROCK2

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