SCHEMBL9954045

SCHEMBL9954045

COc1ccccc1-n1c(N)nc2ccc(-c3cnc(N)c(S(=O)(=O)Nc4ccc(F)cc4F)c3)cc2c1=O

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 19/20 0.76
PIK3CG P48736 16/20 0.76
PIK3CA P42336 1/20 0.53

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
SCHEMBL9953997 0.90 PI4KA (0.61) PI4KAPIK3CGPIK3CA
SCHEMBL9954619 0.89 PI4KA (0.69) PI4KAPIK3CGPIK3CA
SCHEMBL9954380 0.88 PI4KA (0.83) PI4KAPIK3CGPIK3CA
SCHEMBL9953978 0.88 PI4KA (0.84) PI4KAPIK3CGPIK3CA
SCHEMBL9952611 0.87 PI4KA (0.83) PI4KAPIK3CG
SCHEMBL9953872 0.86 PI4KA (1.00) PI4KAPIK3CGPIK3CA
SCHEMBL9953467 0.86 PI4KA (0.85) PI4KAPIK3CGPIK3CA
SCHEMBL9954012 0.86 PI4KA (0.85) PI4KAPIK3CG
SCHEMBL9953714 0.84 PI4KA (1.00) PI4KAPIK3CG
SCHEMBL9952689 0.84 PI4KA (1.00) PI4KAPIK3CG

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 1 patent. 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