SCHEMBL10044545

SCHEMBL10044545

COc1cc(O)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C#N)cc2)c1OCCOCCO

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 11/20 0.58
PIK3CD O00329 2/20 0.49
MAPT P10636 4/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.42
ACLY P53396 1/20 0.41

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
SCHEMBL2732827 0.92 PIK3CG (0.65) PIK3CGPIK3CDMAPTMEN1KMT2A
SCHEMBL2731738 0.86 PIK3CG (0.60) PIK3CGPIK3CDMAPTMEN1KMT2A
SCHEMBL2730711 0.85 PIK3CG (0.68) PIK3CGPIK3CDMAPT
SCHEMBL2729713 0.85 PIK3CD (0.67) PIK3CGPIK3CDMAPTACLY
SCHEMBL2721975 0.84 PIK3CG (0.63) PIK3CGPIK3CDMAPTMEN1KMT2A
SCHEMBL18174989 0.84 MAPT (0.55) PIK3CGPIK3CDMAPTMEN1KMT2A
SCHEMBL4288631 0.83 PIK3CG (0.59) PIK3CGPIK3CDMAPTMEN1KMT2A
SCHEMBL4288905 0.82 PIK3CG (0.64) PIK3CGPIK3CDMAPTMEN1KMT2A
SCHEMBL2722453 0.82 PIK3CG (0.63) PIK3CGPIK3CDMAPTPOLB
SCHEMBL15180097 0.81 PIK3CG (0.62) 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