SCHEMBL9955142

SCHEMBL9955142

COc1ncc(-c2ccc3nc(N)n(-c4ccccc4C(F)(F)F)c(=O)c3c2)cc1S(=O)(=O)Nc1ccccc1F

nearest known ligand 0.89

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 20/20 0.89
PIK3CG P48736 17/20 0.89

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
SCHEMBL9953338 0.96 PI4KA (0.84) PI4KAPIK3CG
SCHEMBL9953310 0.95 PI4KA (0.91) PI4KAPIK3CG
SCHEMBL30089020 0.94 PI4KA (1.00) PI4KAPIK3CG
SCHEMBL31722834 0.94 PI4KA (1.00) PI4KAPIK3CG
SCHEMBL9953714 0.94 PI4KA (1.00) PI4KAPIK3CG
SCHEMBL9954525 0.94 PI4KA (0.84) PI4KAPIK3CG
SCHEMBL9954232 0.93 PI4KA (0.82) PI4KAPIK3CG
SCHEMBL9954761 0.91 PI4KA (0.83) PI4KAPIK3CG
SCHEMBL9953186 0.91 PI4KA (0.85) PI4KAPIK3CG
SCHEMBL9954245 0.90 PI4KA (0.80) 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 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