SCHEMBL9954253

SCHEMBL9954253

COc1ncc(-c2ccc3nc(N)n(-c4ccc(N5CCOCC5)cc4)c(=O)c3c2)cc1S(=O)(=O)Nc1ccc(F)cc1F

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 19/20 0.81
PIK3CG P48736 16/20 0.81
PIK3CA P42336 1/20 0.57

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
SCHEMBL9960577 0.93 PI4KA (0.74) PI4KAPIK3CG
SCHEMBL9953710 0.92 PI4KA (0.81) PI4KAPIK3CGPIK3CA
SCHEMBL14317917 0.91 PIK3CG (0.67) PI4KAPIK3CGPIK3CA
SCHEMBL9955109 0.90 PI4KA (1.00) PI4KAPIK3CG
SCHEMBL9953826 0.90 PI4KA (0.67) PI4KAPIK3CG
SCHEMBL9953864 0.88 PI4KA (0.67) PI4KAPIK3CG
SCHEMBL10288774 0.88 PI4KA (0.88) PI4KAPIK3CGPIK3CA
Formic Acid SCHEMBL14247532 0.88 PIK3CG (0.63) PI4KAPIK3CGPIK3CA
SCHEMBL9954344 0.88 PI4KA (0.88) PI4KAPIK3CG
SCHEMBL9954682 0.88 PI4KA (1.00) 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