SCHEMBL9953237

SCHEMBL9953237

COc1ncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1NS(=O)(=O)N1CCOCC1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 17/20 0.75
PIK3CG P48736 14/20 0.75
PIK3CD O00329 1/20 0.52
PIK3CA P42336 1/20 0.50

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
SCHEMBL9954833 0.87 PI4KA (0.64) PI4KAPIK3CG
SCHEMBL9955005 0.86 PI4KA (1.00) PI4KAPIK3CGPIK3CD
SCHEMBL9955048 0.83 PI4KA (0.81) PI4KAPIK3CGPIK3CD
SCHEMBL9953349 0.82 PI4KA (0.83) PI4KAPIK3CGPIK3CD
SCHEMBL9954755 0.82 PI4KA (1.00) PI4KAPIK3CGPIK3CDPIK3CA
SCHEMBL9953227 0.82 PI4KA (0.90) PI4KAPIK3CGPIK3CDPIK3CA
SCHEMBL9953042 0.82 PI4KA (1.00) PI4KAPIK3CGPIK3CA
SCHEMBL10289361 0.82 PI4KA (0.85) PI4KAPIK3CGPIK3CA
SCHEMBL9959146 0.82 PI4KA (0.88) PI4KAPIK3CGPIK3CA
SCHEMBL9953710 0.81 PI4KA (0.81) PI4KAPIK3CGPIK3CDPIK3CA

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