SCHEMBL30174183

SCHEMBL30174183

NC(=O)c1c2n(cc(-c3ccoc3)c1=O)CCOC2

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.35
RPS6KB1 P23443 1/20 0.34
AKT1 P31749 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
CSNK1E P49674 1/20 0.33
STK4 Q13043 1/20 0.33
STK3 Q13188 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
CAPN1 P07384 1/20 0.31
PRKDC P78527 1/20 0.30
PIK3C3 Q8NEB9 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
SCHEMBL25529250 0.89 RIPK1 (0.36) RIPK1PIK3CAPIK3CBPIK3CGSTK4
SCHEMBL30174220 0.81 CSNK1E (0.38) RIPK1RPS6KB1AKT1PIK3CAPIK3CB
SCHEMBL30174263 0.79 ALOX5 (0.39) PIK3CAPIK3CBPIK3CGCSNK1ESTK4
SCHEMBL30174188 0.78 TSHR (0.45) RIPK1PIK3CAPIK3CBPIK3CGSTK4
SCHEMBL30174208 0.75 PTGS2 (0.41) CSNK1EMKNK1MKNK2PRKDC
SCHEMBL30174219 0.75 CSNK1E (0.34) RIPK1RPS6KB1AKT1CSNK1EPIK3C3
SCHEMBL30174179 0.72 HDAC1 (0.33) CSNK1E
SCHEMBL25529254 0.70 RIPK1 (0.38) RIPK1PIK3CAPIK3CBPIK3CGCSNK1E
SCHEMBL29867907 0.69 KDM4E (0.30)
SCHEMBL25229526 0.68 ALOX5 (0.42) PIK3CAPIK3CBPIK3CGSTK4STK3

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
CN-115605478-A Compounds and methods of use 埃克塞里艾克西斯公司(US) 2023-01-13 CN disclosed