SCHEMBL10044550

SCHEMBL10044550

COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(N)c2)c(OCCOCCO)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 13/20 0.53
PIK3CD O00329 5/20 0.51
MAPT P10636 1/20 0.49
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PRKDC P78527 1/20 0.46
PIK3C3 Q8NEB9 1/20 0.46
PIK3C2B O00750 1/20 0.46
PIK3C2G O75747 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL4288631 0.93 PIK3CG (0.59) PIK3CGPIK3CDMAPTPIK3CAPIK3CB
SCHEMBL2721975 0.90 PIK3CG (0.63) PIK3CGPIK3CDMAPTPIK3CAPIK3CB
SCHEMBL2729713 0.89 PIK3CD (0.67) PIK3CGPIK3CDMAPT
SCHEMBL4289089 0.88 PIK3CD (0.65) PIK3CGPIK3CDMAPT
SCHEMBL2722050 0.88 PIK3CG (0.55) PIK3CGPIK3CDMAPTPIK3CAPIK3CB
SCHEMBL2722453 0.88 PIK3CG (0.63) PIK3CGPIK3CDMAPTPIK3CAPIK3CB
SCHEMBL10044927 0.86 MAPT (0.55) PIK3CGPIK3CDMAPTPIK3CAPIK3CB
SCHEMBL10044538 0.86 PIK3CG (0.48) PIK3CGPIK3CDMAPTKMT2A
SCHEMBL2732827 0.86 PIK3CG (0.65) PIK3CGPIK3CDMAPTPIK3CAPIK3CB
SCHEMBL2730831 0.85 PIK3CG (0.65) PIK3CGPIK3CDMAPT

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-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