SCHEMBL9953864

SCHEMBL9953864

COc1ncc(-c2ccc3nc(N)n(-c4ccc(N5CCOCC5)cc4)c(=O)c3c2)cc1S(=O)(=O)Nc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 20/20 0.67
PIK3CG P48736 17/20 0.67

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
SCHEMBL9953826 0.94 PI4KA (0.67) PI4KAPIK3CG
SCHEMBL9960577 0.91 PI4KA (0.74) PI4KAPIK3CG
SCHEMBL14247306 0.91 PIK3CG (0.54) PI4KAPIK3CG
SCHEMBL9953320 0.90 PI4KA (0.57) PI4KAPIK3CG
SCHEMBL9953140 0.89 PI4KA (0.61) PI4KAPIK3CG
SCHEMBL9954253 0.88 PI4KA (0.81) PI4KAPIK3CG
SCHEMBL9953875 0.88 PI4KA (0.58) PI4KAPIK3CG
SCHEMBL9959958 0.87 PI4KA (0.52) PI4KAPIK3CG
SCHEMBL9953796 0.86 PI4KA (0.56) PI4KAPIK3CG
SCHEMBL10289128 0.86 PI4KA (0.75) 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