SCHEMBL9953522

SCHEMBL9953522

COc1ncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1N

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 19/20 0.73
PIK3CG P48736 16/20 0.73
MAPT P10636 1/20 0.53
CASP1 P29466 1/20 0.53

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
SCHEMBL9954698 0.91 PI4KA (0.72) PI4KAPIK3CG
SCHEMBL9953082 0.90 PI4KA (0.70) PI4KAPIK3CG
SCHEMBL9953192 0.88 PI4KA (0.77) PI4KAPIK3CG
SCHEMBL9955594 0.88 PI4KA (0.71) PI4KAPIK3CG
SCHEMBL9953916 0.87 PI4KA (0.70) PI4KAPIK3CG
SCHEMBL9954117 0.87 PI4KA (0.73) PI4KAPIK3CG
Lithium SCHEMBL9953931 0.87 PI4KA (0.70) PI4KAPIK3CG
SCHEMBL10289146 0.87 PI4KA (0.67) PI4KAPIK3CG
SCHEMBL9954007 0.86 PI4KA (0.71) PI4KAPIK3CG
SCHEMBL9953490 0.86 PI4KA (0.65) PI4KAPIK3CGCASP1

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