SCHEMBL4751844

SCHEMBL4751844

O=S(=O)(Nc1cc(-c2ccc3nccc(-c4ccncc4)c3c2)cnc1OCl)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.65
PIK3CD O00329 6/20 0.65
PIK3CB P42338 4/20 0.65
PIK3CG P48736 4/20 0.65
MTOR P42345 3/20 0.65
PIK3C3 Q8NEB9 2/20 0.65
PIK3R1 P27986 1/20 0.53
AKT1 P31749 1/20 0.51

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
SCHEMBL731865 0.91 PIK3CA (0.72) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL730000 0.89 PIK3CA (0.61) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL729543 0.88 PIK3CD (0.82) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL729613 0.86 PIK3CA (0.65) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL729763 0.86 PIK3CA (0.65) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL729583 0.86 PIK3CA (0.65) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL731923 0.83 PIK3CA (0.62) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL25494702 0.83 PIK3CA (0.66) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL624445 0.82 PIK3CA (0.73) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL25495064 0.81 PIK3CA (0.61) PIK3CAPIK3CDPIK3CBPIK3CGMTOR

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-2008144463-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 WO disclosed