SCHEMBL4300600

SCHEMBL4300600

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

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
PIK3CG P48736 12/20 0.52
PIK3CD O00329 5/20 0.50
PIK3CA P42336 2/20 0.50
PIK3CB P42338 2/20 0.50
MTOR P42345 1/20 0.48
PRKDC P78527 1/20 0.48
RPTOR Q8N122 1/20 0.48
MLST8 Q9BVC4 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL2731238 0.90 PIK3CG (0.63) MAPTPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL10044927 0.84 MAPT (0.55) MAPTPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL18167168 0.84 AGTR1 (0.42) MAPTPIK3CGALDH1A1
SCHEMBL4296830 0.83 PIK3CG (0.54) MAPTPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL2733208 0.83 PIK3CG (0.72) PIK3CGPIK3CD
SCHEMBL4288292 0.81 PIK3CG (0.59) MAPTPIK3CGPIK3CD
SCHEMBL18167167 0.81 LMNA (0.41) MAPTPIK3CG
SCHEMBL2721570 0.80 PIK3CG (0.60) MAPTPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL2721975 0.79 PIK3CG (0.63) MAPTPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL4286070 0.79 PIK3CG (0.60) MAPTPIK3CGPIK3CDPIK3CAPIK3CB

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-2012052102-A1 QUINOXALINE DERIVATES MERCK PATENT GMBH (DE) 2012-04-26 WO disclosed