SCHEMBL10044538

SCHEMBL10044538

COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(N)s2)c(OCCOCCO)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 16/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 1/20 0.48
PIK3CD O00329 2/20 0.43

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
SCHEMBL15180094 0.89 PIK3CG (0.49) PIK3CGMAPTKMT2APIK3CD
SCHEMBL2721084 0.88 KMT2A (0.65) PIK3CGMAPTKMT2APIK3CD
SCHEMBL4288631 0.86 PIK3CG (0.59) PIK3CGMAPTKMT2APIK3CD
SCHEMBL10044550 0.86 PIK3CG (0.53) PIK3CGMAPTKMT2APIK3CD
SCHEMBL2721975 0.86 PIK3CG (0.63) PIK3CGMAPTKMT2APIK3CD
SCHEMBL2722453 0.83 PIK3CG (0.63) PIK3CGMAPTPIK3CD
SCHEMBL15199269 0.82 PIK3CG (0.48) PIK3CGMAPTKMT2APIK3CD
SCHEMBL2723028 0.82 KMT2A (0.69) PIK3CGMAPTKMT2APIK3CD
SCHEMBL4291560 0.82 PIK3CG (0.48) PIK3CGMAPTKMT2APIK3CD
SCHEMBL2721959 0.82 PIK3CG (0.62) PIK3CGMAPT

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