SCHEMBL14050488

SCHEMBL14050488

COC1=CC(C)(OC)CC(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C3CCCCN3C(=O)OC(C)(C)C)c2)=C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 3/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PRKDC P78527 1/20 0.42
PIK3C3 Q8NEB9 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
LMNA P02545 4/20 0.38
MAPT P10636 4/20 0.38
NPSR1 Q6W5P4 4/20 0.38
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 2/20 0.38
MCL1 Q07820 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
SIRT2 Q8IXJ6 2/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL188765 0.84 PIK3CG (0.48) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL4635038 0.75 PIK3CG (0.51) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL189645 0.70 PIK3CG (0.54) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL189644 0.70 PIK3CG (0.54) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL14050555 0.68 PIK3CG (0.40) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL188656 0.67 PIK3CG (0.59) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL3807585 0.67 NPC1 (0.71) MEN1KMT2ALMNANPSR1HTT
SCHEMBL4101103 0.67 NPSR1 (0.66) MEN1KMT2ALMNANPSR1POLB
SCHEMBL189323 0.67 PIK3CG (0.57) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL189601 0.65 PIK3CG (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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