SCHEMBL9954380

SCHEMBL9954380

Nc1ncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1S(=O)(=O)Nc1ccc(F)cc1F

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 19/20 0.83
PIK3CG P48736 16/20 0.81
PIK3CA P42336 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
SCHEMBL10289368 0.92 PI4KA (0.81) PI4KAPIK3CG
SCHEMBL9953099 0.91 PI4KA (1.00) PI4KAPIK3CGPIK3CA
SCHEMBL10289161 0.90 PI4KA (0.79) PI4KAPIK3CG
SCHEMBL9954785 0.90 PI4KA (0.79) PI4KAPIK3CG
SCHEMBL9954619 0.89 PI4KA (0.69) PI4KAPIK3CGPIK3CA
SCHEMBL9955109 0.89 PI4KA (1.00) PI4KAPIK3CG
SCHEMBL9953346 0.89 PI4KA (0.78) PI4KAPIK3CG
SCHEMBL9953777 0.88 PI4KA (0.85) PI4KAPIK3CG
SCHEMBL9954045 0.88 PI4KA (0.76) PI4KAPIK3CGPIK3CA
SCHEMBL9954271 0.87 PI4KA (0.68) PI4KAPIK3CGPIK3CA

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