SCHEMBL3759494

SCHEMBL3759494

COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)NC(=O)O)c2)cc(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 7/20 0.58
PIK3CD O00329 5/20 0.58
PIK3CA P42336 4/20 0.58
PIK3CB P42338 3/20 0.58
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
PRKDC P78527 2/20 0.55
MTOR P42345 1/20 0.55
RPTOR Q8N122 1/20 0.55
MLST8 Q9BVC4 1/20 0.55
PIK3C3 Q8NEB9 1/20 0.53
MAPT P10636 6/20 0.51
KDM4E B2RXH2 3/20 0.49
POLB P06746 1/20 0.48
GFER P55789 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TNF P01375 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL188864 0.91 PIK3CG (0.60) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL188956 0.91 PIK3CG (0.60) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL188955 0.91 PIK3CG (0.60) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL189310 0.90 PIK3CG (0.63) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL189262 0.89 PIK3CG (0.54) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL189263 0.89 PIK3CG (0.54) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL189590 0.89 PIK3CG (0.61) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL189824 0.89 PIK3CG (0.61) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL189465 0.89 PIK3CG (0.61) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
Hydrochloric Acid SCHEMBL188429 0.88 PIK3CG (0.60) PIK3CGPIK3CDPIK3CAPIK3CBMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139483-A2 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER Exelixis, Inc. (US) 2010-01-06 EP disclosed
WO-2008127594-A2 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC. (US) 2008-10-23 WO disclosed