SCHEMBL6995964

SCHEMBL6995964

CCN(CCN)C(=O)c1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cc(OC)ccc2Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 15/20 0.61
PIK3CD O00329 5/20 0.61
PIK3CA P42336 1/20 0.61
PIK3CB P42338 1/20 0.61
PRKDC P78527 1/20 0.61
PIK3C3 Q8NEB9 1/20 0.61
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL188889 0.93 PIK3CG (0.59) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL189053 0.92 PIK3CG (0.59) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL10201415 0.92 PIK3CG (0.63) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL188827 0.90 PIK3CG (0.57) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL188775 0.87 PIK3CG (0.61) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL188893 0.87 PIK3CG (0.61) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL189404 0.85 PIK3CG (0.71) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL221252 0.85 PIK3CG (0.60) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL187815 0.84 PIK3CG (0.64) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL14053338 0.84 PIK3CG (0.66) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012065057-A2 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS AND METHODS OF THEIR USE EXELIXIS, INC. (US) 2012-05-18 WO disclosed
WO-2012006552-A1 COMBINATIONS OF KINASE INHIBITORS FOR THE TREATMENT OF CANCER EXELIXIS, INC. (US) 2012-01-12 WO disclosed
EP-2364974-A1 N-(3-Phenylamino-quinoxalin-2-yl)-benzenesulfonamide derivatives as phosphatidylinositol 3-kinase inhibitors Exelixis, Inc. (US) 2011-09-14 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