SCHEMBL9954489

SCHEMBL9954489

COc1ncc(-c2ccc3nc(N)n(-c4ccccc4C(F)(F)F)c(=O)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 18/20 0.85
PIK3CG P48736 15/20 0.85
PIK3CA P42336 2/20 0.62
MTOR P42345 2/20 0.62

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
SCHEMBL9952648 0.93 PI4KA (0.87) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL9953714 0.92 PI4KA (1.00) PI4KAPIK3CG
SCHEMBL30089020 0.92 PI4KA (1.00) PI4KAPIK3CG
SCHEMBL31722834 0.92 PI4KA (1.00) PI4KAPIK3CG
SCHEMBL9953978 0.91 PI4KA (0.84) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL9953614 0.91 PI4KA (0.79) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL9953828 0.91 PI4KA (0.85) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL9953310 0.90 PI4KA (0.91) PI4KAPIK3CG
SCHEMBL10289330 0.90 PI4KA (0.82) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL9954916 0.90 PI4KA (0.82) 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 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