SCHEMBL29949289

SCHEMBL29949289

CC(Nc1ncco1)c1cccc(N)c1N

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
IDH1 O75874 3/20 0.33
FFAR2 O15552 1/20 0.33
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
CSNK2A3 Q8NEV1 1/20 0.32
KRAS P01116 2/20 0.30
SOS1 Q07889 2/20 0.30
CD44 P16070 1/20 0.30

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
SCHEMBL26965612 1.00 SCN1A (0.33) SCN1ASCN5ASCN8AIDH1FFAR2
SCHEMBL26965607 0.73 HSD17B10 (0.36) SCN1ASCN5ASCN8AIDH1
SCHEMBL15836949 0.69
SCHEMBL26965586 0.68 EGFR (0.32) CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL29949337 0.68 EGFR (0.32) CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL104522 0.64 CYP3A4 (0.48) CD44
SCHEMBL29407112 0.64 CYP3A4 (0.48) CD44
SCHEMBL3482836 0.64 CD44 (0.48) CD44
SCHEMBL10503258 0.63 CYP3A4 (0.48) CD44
SCHEMBL23500821 0.62 CXCR4 (0.39) CD44

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117561247-A Novel potassium channel inhibitors 阿塞西翁制药公司 2024-02-13 CN disclosed
EP-4313973-A1 NOVEL POTASSIUM CHANNEL INHIBITORS Acesion Pharma ApS (DK) 2024-02-07 EP disclosed
WO-2022200162-A1 NOVEL POTASSIUM CHANNEL INHIBITORS ACECION PHARMA APS (DK) 2022-09-29 WO disclosed