SCHEMBL9954643

SCHEMBL9954643

COc1ncc(-c2ccc3nc(N)n(-c4ccc(CN5CCCCC5)cc4)c(=O)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 13/20 0.77
PIK3CG P48736 10/20 0.77
PIK3CA P42336 7/20 0.71
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
SCHEMBL9954078 0.99 PI4KA (0.78) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL10288660 0.94 PI4KA (0.76) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL9954455 0.94 PIK3CG (0.75) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL9958973 0.94 PI4KA (0.78) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL9953853 0.93 PI4KA (0.79) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL9952639 0.90 PI4KA (0.92) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL9954378 0.88 PI4KA (0.77) PI4KAPIK3CGPIK3CA
SCHEMBL10288665 0.88 PI4KA (0.76) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL9954259 0.88 PI4KA (0.88) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL9954471 0.88 PI4KA (1.00) PI4KAPIK3CGPIK3CAMTOR

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