SCHEMBL9954652

SCHEMBL9954652

COc1ncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1NC(N)=O

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 19/20 0.76
PIK3CG P48736 16/20 0.76
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42

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
SCHEMBL9955005 0.86 PI4KA (1.00) PI4KAPIK3CG
SCHEMBL9954007 0.86 PI4KA (0.71) PI4KAPIK3CG
SCHEMBL9955594 0.86 PI4KA (0.71) PI4KAPIK3CG
SCHEMBL9953530 0.85 PI4KA (0.68) PI4KAPIK3CG
SCHEMBL9953522 0.85 PI4KA (0.73) PI4KAPIK3CG
Lithium SCHEMBL9953931 0.85 PI4KA (0.70) PI4KAPIK3CG
SCHEMBL9953916 0.85 PI4KA (0.70) PI4KAPIK3CG
SCHEMBL9954698 0.84 PI4KA (0.72) PI4KAPIK3CGPIK3CA
SCHEMBL10289358 0.84 PI4KA (0.70) PI4KAPIK3CG
SCHEMBL9953082 0.84 PI4KA (0.70) 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