SCHEMBL9954587

SCHEMBL9954587

Nc1ncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1S(=O)(=O)NCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 18/20 0.61
PIK3CG P48736 15/20 0.55
PIK3C3 Q8NEB9 2/20 0.43

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
SCHEMBL9952454 0.91 PI4KA (0.55) PI4KAPIK3CG
SCHEMBL9954656 0.89 PI4KA (0.71) PI4KAPIK3CG
SCHEMBL9954511 0.87 PI4KA (0.64) PI4KAPIK3CGPIK3C3
SCHEMBL9954271 0.86 PI4KA (0.68) PI4KAPIK3CG
SCHEMBL9954675 0.84 PI4KA (0.61) PI4KAPIK3CG
SCHEMBL10289349 0.84 PI4KA (0.75) PI4KAPIK3CG
SCHEMBL10289347 0.83 PI4KA (0.72) PI4KAPIK3CG
SCHEMBL9954128 0.83 PI4KA (0.64) PI4KAPIK3CGPIK3C3
SCHEMBL9954059 0.83 PI4KA (0.64) PI4KAPIK3CG
SCHEMBL9954130 0.81 PI4KA (0.62) 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 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