SCHEMBL4559923

SCHEMBL4559923

COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(C(C(N)=O)N3CCOC(c4ccccc4)C3)c2)cc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 10/20 0.47
PIK3CD O00329 5/20 0.47
PIK3CA P42336 4/20 0.47
PIK3CB P42338 3/20 0.47
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
PRKDC P78527 2/20 0.42
MTOR P42345 1/20 0.42
RPTOR Q8N122 1/20 0.42
MLST8 Q9BVC4 1/20 0.42
PIK3C2B O00750 1/20 0.40
PIK3C2G O75747 1/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
PIK3C3 Q8NEB9 1/20 0.40
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 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
SCHEMBL4523041 0.88 PIK3CG (0.58) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL4635286 0.86 PIK3CG (0.52) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL4635228 0.84 PIK3CG (0.49) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL4777707 0.84 PIK3CG (0.52) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL4636096 0.84 PIK3CD (0.55) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL4635233 0.82 PIK3CD (0.52) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL27716380 0.82 PIK3CG (0.53) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL4667949 0.81 PIK3CG (0.55) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL3693364 0.81 PIK3CD (0.49) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL4636105 0.81 PIK3CG (0.51) 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 1 patent. 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