SCHEMBL10044539

SCHEMBL10044539

COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(N)cc2)c(CCCN2CCS(=O)(=O)CC2)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
PIK3CG P48736 14/20 0.51
PIK3CD O00329 4/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.44

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
SCHEMBL4284311 0.91 PIK3CG (0.56) MAPTPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL4286067 0.85 PIK3CD (0.63) PIK3CGPIK3CD
SCHEMBL4286070 0.84 PIK3CG (0.60) MAPTPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL4296725 0.83 MAPT (0.57) MAPTPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL4291916 0.83 PIK3CG (0.42) MAPTPIK3CGPIK3CD
SCHEMBL10044540 0.80 PIK3CD (0.61) PIK3CGPIK3CD
SCHEMBL4291799 0.77 PIK3CG (0.53) MAPTPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL4296074 0.74 PIK3CG (0.70) MAPTPIK3CGPIK3CD
SCHEMBL15180089 0.73 PIK3CG (0.62) MAPTPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL6996405 0.72 PIK3CD (0.83) 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-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