SCHEMBL8124272

SCHEMBL8124272

O=S(=O)(Nc1cc(-c2ccc3nccc(-c4ccncc4)c3c2)cnc1Cl)C1CC=CS1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.61
PIK3CD O00329 4/20 0.61
PIK3CB P42338 4/20 0.61
PIK3CG P48736 4/20 0.61
MTOR P42345 3/20 0.61
PIK3C3 Q8NEB9 2/20 0.61
AKT1 P31749 2/20 0.46

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
SCHEMBL14024679 0.85 PIK3CA (0.57) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL732165 0.85 PIK3CA (0.68) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL730423 0.82 PIK3CA (0.72) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL732293 0.79 PIK3CA (0.70) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL729543 0.77 PIK3CD (0.82) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL730008 0.74 PIK3CA (0.83) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL732310 0.74 PIK3CA (0.69) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL731496 0.74 PIK3CA (0.80) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1544078 0.73 PIK3CA (0.59) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL730411 0.73 PIK3CA (0.77) 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