SCHEMBL9955053

SCHEMBL9955053

COc1ncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1NS(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 19/20 0.79
PIK3CG P48736 16/20 0.79
PIK3CA P42336 1/20 0.48
MTOR P42345 1/20 0.48

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
SCHEMBL10289361 0.88 PI4KA (0.85) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL9953042 0.88 PI4KA (1.00) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL9953972 0.88 PI4KA (0.88) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL10289366 0.88 PI4KA (0.84) PI4KAPIK3CG
SCHEMBL10289331 0.87 PI4KA (0.77) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL10289130 0.86 PI4KA (0.81) PI4KAPIK3CGPIK3CA
SCHEMBL9953434 0.86 PI4KA (0.81) PI4KAPIK3CG
SCHEMBL10288663 0.86 PI4KA (1.00) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL9955005 0.85 PI4KA (1.00) PI4KAPIK3CG
SCHEMBL9953705 0.85 PI4KA (0.88) 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