SCHEMBL3757518

SCHEMBL3757518

COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)CN)c2)c2ncccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 9/20 0.59
PIK3CD O00329 4/20 0.56
PIK3CA P42336 1/20 0.56
PIK3CB P42338 1/20 0.56
PRKDC P78527 1/20 0.56
PIK3C3 Q8NEB9 1/20 0.56
SLC40A1 Q9NP59 2/20 0.53
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
TDP1 Q9NUW8 4/20 0.51
POLB P06746 1/20 0.51
PIK3C2B O00750 1/20 0.48
PIK3C2G O75747 1/20 0.48
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
CXCR2 P25025 1/20 0.47
AGTR1 P30556 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
SCHEMBL188577 0.91 PIK3CG (0.68) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL3757523 0.88 SLC40A1 (0.53) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL189184 0.85 PIK3CG (0.62) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL188664 0.85 SLC40A1 (0.62) PIK3CGPIK3CDPIK3CAPIK3CBSLC40A1
SCHEMBL2276298 0.85 PIK3CG (0.53) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL13452357 0.85 PIK3CG (0.67) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL3811843 0.84 SLC40A1 (0.74) PIK3CGPIK3CDPIK3CAPIK3CBSLC40A1
SCHEMBL188828 0.84 PIK3CG (0.78) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL13452220 0.82 SLC40A1 (0.60) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL1792647 0.81 SLC40A1 (0.51) 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 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 claimed
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 claimed