SCHEMBL9953236

SCHEMBL9953236

COC(=O)c1ccc(-n2c(N)nc3ccc(-c4cnc(OC)c(NS(=O)(=O)c5ccc(F)cc5F)c4)cc3c2=O)cc1

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 18/20 0.84
PIK3CG P48736 15/20 0.84
PIK3CA P42336 2/20 0.65
MTOR P42345 2/20 0.65

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
SCHEMBL9953964 0.95 PI4KA (0.85) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL10289343 0.94 PI4KA (0.84) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL9952639 0.93 PI4KA (0.92) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL10289034 0.93 PI4KA (0.84) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL10289342 0.93 PI4KA (0.71) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL10289341 0.92 PI4KA (0.80) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL9954259 0.91 PI4KA (0.88) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL9954471 0.91 PI4KA (1.00) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL9953907 0.91 PI4KA (0.87) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL10288665 0.90 PI4KA (0.76) 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