SCHEMBL9953770

SCHEMBL9953770

COc1ncc(-c2ccc3nc(N)n(-c4cccc(CN5CCOCC5)c4)c(=O)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 14/20 0.76
PI4KA P42356 14/20 0.76
PIK3CA P42336 6/20 0.63
PIK3CD O00329 2/20 0.63
PIK3R1 P27986 2/20 0.63
PIK3CB P42338 2/20 0.63
MTOR P42345 1/20 0.58

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
SCHEMBL9953853 0.94 PI4KA (0.79) PIK3CGPI4KAPIK3CAMTOR
SCHEMBL9958973 0.94 PI4KA (0.78) PIK3CGPI4KAPIK3CAMTOR
SCHEMBL9954455 0.94 PIK3CG (0.75) PIK3CGPI4KAPIK3CAPIK3CDPIK3R1
SCHEMBL9954378 0.93 PI4KA (0.77) PIK3CGPI4KAPIK3CAPIK3R1
SCHEMBL14317328 0.92 PIK3CG (0.62) PIK3CGPI4KAPIK3CAPIK3CDPIK3R1
SCHEMBL9954398 0.90 PI4KA (0.81) PIK3CGPI4KAPIK3CAPIK3CDPIK3R1
Formic Acid SCHEMBL14247479 0.89 PIK3CG (0.59) PIK3CGPI4KAPIK3CAPIK3CDPIK3R1
SCHEMBL9953710 0.88 PI4KA (0.81) PIK3CGPI4KAPIK3CAPIK3CDPIK3R1
SCHEMBL9954078 0.88 PI4KA (0.78) PIK3CGPI4KAPIK3CAMTOR
SCHEMBL9953682 0.87 PI4KA (0.93) PIK3CGPI4KAPIK3CAMTOR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012174312-A2 BENZIMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-12-20 WO disclosed
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