SCHEMBL9954448

SCHEMBL9954448

COC(=O)c1cc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cnc1N

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 18/20 0.63
PIK3CG P48736 15/20 0.63
AXL P30530 1/20 0.42
IKBKE Q14164 1/20 0.42
TBK1 Q9UHD2 1/20 0.42

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
SCHEMBL9954007 0.90 PI4KA (0.71) PI4KAPIK3CGAXL
Lithium SCHEMBL9955796 0.88 PI4KA (0.57) PI4KAPIK3CG
SCHEMBL9955784 0.88 PI4KA (0.57) PI4KAPIK3CG
SCHEMBL9953388 0.87 PI4KA (0.56) PI4KAPIK3CG
SCHEMBL10288673 0.86 PI4KA (0.56) PI4KAPIK3CG
SCHEMBL9954462 0.86 PI4KA (0.56) PI4KAPIK3CGIKBKETBK1
Lithium Ion SCHEMBL9955788 0.86 PI4KA (0.55) PI4KAPIK3CG
SCHEMBL9955594 0.84 PI4KA (0.71) PI4KAPIK3CG
SCHEMBL9953916 0.83 PI4KA (0.70) PI4KAPIK3CG
Lithium SCHEMBL9953931 0.83 PI4KA (0.70) 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