SCHEMBL9953710

SCHEMBL9953710

COc1ncc(-c2ccc3nc(N)n(-c4ccc(N5CCOCC5)cc4)c(=O)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 17/20 0.81
PIK3CG P48736 15/20 0.81
PIK3CA P42336 3/20 0.68
PIK3CD O00329 1/20 0.64
PIK3R1 P27986 1/20 0.64
PIK3CB P42338 1/20 0.64
MTOR P42345 1/20 0.61

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
SCHEMBL9954398 0.95 PI4KA (0.81) PI4KAPIK3CGPIK3CAPIK3CDPIK3R1
SCHEMBL9954253 0.92 PI4KA (0.81) PI4KAPIK3CGPIK3CA
SCHEMBL9954455 0.92 PIK3CG (0.75) PI4KAPIK3CGPIK3CAPIK3CDPIK3R1
SCHEMBL9952639 0.92 PI4KA (0.92) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL10289033 0.92 PI4KA (0.74) PI4KAPIK3CGPIK3CAPIK3CDPIK3R1
SCHEMBL14315224 0.91 PIK3CG (0.75) PI4KAPIK3CGPIK3CAPIK3CDPIK3R1
SCHEMBL9954259 0.90 PI4KA (0.88) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL9954471 0.90 PI4KA (1.00) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL9953907 0.89 PI4KA (0.87) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL9953770 0.88 PIK3CG (0.76) PI4KAPIK3CGPIK3CAPIK3CDPIK3R1

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
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed