SCHEMBL31662453

SCHEMBL31662453

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
SCN9A Q15858 6/20 0.39
SYK P43405 2/20 0.38
HAO1 Q9UJM8 2/20 0.38
NOTUM Q6P988 1/20 0.36
LTA4H P09960 1/20 0.36
PLA2G2A P14555 1/20 0.36
AR P10275 4/20 0.36
AURKB Q96GD4 1/20 0.36
ROCK2 O75116 1/20 0.36
CACNA1H O95180 1/20 0.36
MCL1 Q07820 1/20 0.35

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
SCHEMBL31662511 0.90 SYK (0.38) SCN9ASYKHAO1NOTUMAR
SCHEMBL31662493 0.89 L3MBTL1 (0.41) SCN9ASYKHAO1NOTUMLTA4H
SCHEMBL31662421 0.87 MCL1 (0.44) SCN9ASYKHAO1NOTUMAR
SCHEMBL31662483 0.86 SYK (0.41) SCN9ASYKHAO1NOTUMAR
SCHEMBL31662113 0.86 SCN9A (0.39) SCN9ASYKHAO1ROCK2CACNA1H
SCHEMBL31662092 0.86 SYK (0.37) SCN9ASYKHAO1NOTUMAR
SCHEMBL31662153 0.85 IKBKB (0.46) AURKB
SCHEMBL31662189 0.85 SCN9A (0.37) SCN9ASYKHAO1CACNA1H
SCHEMBL31662602 0.84 PARP10 (0.46) SYKARMCL1
SCHEMBL31662521 0.82 SCN9A (0.41) SCN9ASYKHAO1NOTUMAR

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 1 patent. 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 disclosed