SCHEMBL463381

SCHEMBL463381

COc1ncc(-c2cc(-c3ncc(CN4CC(C)OC(C)C4)o3)c3cnn(S(=O)(=O)c4ccccc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.57
PIK3CG P48736 4/20 0.57
PIK3CD O00329 1/20 0.57
PIK3R2 O00459 1/20 0.57
PIK3CB P42338 1/20 0.57
PI4KA P42356 3/20 0.43
PIK3R1 P27986 5/20 0.43

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
SCHEMBL661037 1.00 PIK3CA (0.57) PIK3CAPIK3CGPIK3CDPIK3R2PIK3CB
SCHEMBL21087321 0.93 PIK3CA (0.49) PIK3CAPIK3CGPIK3CDPIK3R2PIK3CB
SCHEMBL457631 0.92 PIK3CA (0.48) PIK3CAPIK3CGPIK3CDPIK3R2PIK3CB
SCHEMBL17255826 0.91 PIK3CA (0.48) PIK3CAPIK3CGPIK3CDPIK3R2PIK3CB
SCHEMBL458224 0.90 PIK3CD (0.67) PIK3CAPIK3CGPIK3CDPIK3R2PIK3CB
SCHEMBL15049941 0.90 PIK3CD (0.67) PIK3CAPIK3CGPIK3CDPIK3R2PIK3CB
SCHEMBL659369 0.89 PIK3CA (0.55) PIK3CAPIK3CGPIK3CDPIK3R2PIK3CB
SCHEMBL23171066 0.87 PIK3CA (0.48) PIK3CAPIK3CGPIK3CDPIK3R2PIK3CB
SCHEMBL17255828 0.84 PIK3CA (0.80) PIK3CAPIK3CGPIK3CDPIK3R2PIK3CB
SCHEMBL470153 0.84 PIK3CA (0.80) PIK3CAPIK3CGPIK3CDPIK3R2PIK3CB

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-2613781-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-17 EP disclosed
WO-2012032065-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GLAXO GROUP LIMITED (GB) 2012-03-15 WO disclosed