SCHEMBL4286070

SCHEMBL4286070

COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(N)cc2)c(CCCCO)c(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 19/20 0.60
MAPT P10636 1/20 0.58
PIK3CD O00329 1/20 0.52
PIK3CA P42336 1/20 0.52
PIK3CB P42338 1/20 0.52

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
SCHEMBL4296074 0.89 PIK3CG (0.70) PIK3CGMAPTPIK3CD
SCHEMBL4296725 0.89 MAPT (0.57) PIK3CGMAPTPIK3CDPIK3CAPIK3CB
SCHEMBL10044539 0.84 MAPT (0.51) PIK3CGMAPTPIK3CDPIK3CAPIK3CB
SCHEMBL18167161 0.83 PIK3CG (0.47) PIK3CGMAPT
SCHEMBL4294206 0.83 PIK3CG (0.54) PIK3CGMAPTPIK3CD
SCHEMBL10044925 0.82 PIK3CG (0.73) PIK3CGPIK3CD
SCHEMBL15200327 0.81 PIK3CG (0.67) PIK3CGMAPTPIK3CD
SCHEMBL18167160 0.79 PIK3CG (0.46) PIK3CGMAPT
SCHEMBL4300600 0.79 MAPT (0.54) PIK3CGMAPTPIK3CDPIK3CAPIK3CB
SCHEMBL4296830 0.79 PIK3CG (0.54) PIK3CGMAPTPIK3CDPIK3CAPIK3CB

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-2012052420-A1 METHOD FOR PREPARING SUBSTITUTED N-(3-AMINO-QUINOXALIN-2-YL)-SULFONAMIDES AND THEIR INTERMEDIATES N-(3-CHLORO-QUINOXALIN-2-YL)SULFONAMIDES MERCK SERONO S.A. GENEVA (CH) 2012-04-26 WO disclosed
WO-2012052102-A1 QUINOXALINE DERIVATES MERCK PATENT GMBH (DE) 2012-04-26 WO disclosed