SCHEMBL9953705

SCHEMBL9953705

COc1ncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1NS(=O)(=O)c1cc(F)ccc1F

nearest known ligand 0.88

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 19/20 0.88
PIK3CG P48736 16/20 0.88
PIK3CA P42336 1/20 0.59
MTOR P42345 1/20 0.59

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
SCHEMBL9954471 0.94 PI4KA (1.00) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL9953972 0.94 PI4KA (0.88) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL10289045 0.91 PI4KA (0.90) PI4KAPIK3CG
SCHEMBL9955317 0.91 PI4KA (0.89) PI4KAPIK3CGMTOR
SCHEMBL9953682 0.90 PI4KA (0.93) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL9952639 0.90 PI4KA (0.92) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL9955109 0.90 PI4KA (1.00) PI4KAPIK3CG
SCHEMBL10289361 0.90 PI4KA (0.85) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL9953011 0.89 PI4KA (0.86) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL10289070 0.89 PI4KA (0.80) 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