SCHEMBL9953967

SCHEMBL9953967

COc1cccc(-n2c(N)nc3ccc(-c4cnc(OC)c(S(=O)(=O)Nc5ccc(F)cc5F)c4)cc3c2=O)c1

nearest known ligand 0.88

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 20/20 0.88
PIK3CG P48736 17/20 0.88

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
SCHEMBL9955785 0.95 PI4KA (0.91) PI4KAPIK3CG
SCHEMBL9955109 0.94 PI4KA (1.00) PI4KAPIK3CG
SCHEMBL9953650 0.93 PI4KA (0.90) PI4KAPIK3CG
SCHEMBL9954952 0.91 PI4KA (1.00) PI4KAPIK3CG
SCHEMBL9954344 0.91 PI4KA (0.88) PI4KAPIK3CG
SCHEMBL9952850 0.91 PI4KA (0.82) PI4KAPIK3CG
SCHEMBL9953092 0.90 PI4KA (0.84) PI4KAPIK3CG
SCHEMBL9954946 0.89 PI4KA (0.85) PI4KAPIK3CG
SCHEMBL10288774 0.89 PI4KA (0.88) PI4KAPIK3CG
SCHEMBL9953467 0.89 PI4KA (0.85) 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