SCHEMBL9953875

SCHEMBL9953875

COc1ncc(-c2ccc3nc(N)n(-c4ccc(N5CCOCC5)cc4)c(=O)c3c2)cc1S(=O)(=O)NC1CC1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 19/20 0.58
PIK3CG P48736 17/20 0.58
PIK3CD O00329 1/20 0.46

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
SCHEMBL9954519 0.91 PI4KA (0.66) PI4KAPIK3CG
SCHEMBL14325638 0.90 PIK3CG (0.48) PI4KAPIK3CGPIK3CD
SCHEMBL9954290 0.90 PI4KA (0.71) PI4KAPIK3CG
SCHEMBL9953140 0.89 PI4KA (0.61) PI4KAPIK3CG
SCHEMBL9953864 0.88 PI4KA (0.67) PI4KAPIK3CG
SCHEMBL14247352 0.88 PIK3CG (0.49) PI4KAPIK3CGPIK3CD
SCHEMBL14317928 0.87 PIK3C3 (0.49) PI4KAPIK3CGPIK3CD
SCHEMBL14305955 0.87 PIK3C3 (0.48) PI4KAPIK3CGPIK3CD
SCHEMBL9954715 0.87 PI4KA (0.69) PI4KAPIK3CG
SCHEMBL9954408 0.87 PI4KA (0.69) 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