SCHEMBL10288673

SCHEMBL10288673

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

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 14/20 0.56
PIK3CG P48736 11/20 0.56
PIK3C3 Q8NEB9 1/20 0.45
MAP4K1 Q92918 5/20 0.41
ABL1 P00519 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
Lithium SCHEMBL9955796 0.88 PI4KA (0.57) PI4KAPIK3CG
SCHEMBL9955784 0.88 PI4KA (0.57) PI4KAPIK3CG
SCHEMBL9954448 0.86 PI4KA (0.63) PI4KAPIK3CG
Lithium Ion SCHEMBL9955788 0.86 PI4KA (0.55) PI4KAPIK3CG
Formic Acid SCHEMBL9954243 0.86 PI4KA (0.63) PI4KAPIK3CGPIK3C3MAP4K1
SCHEMBL9953388 0.85 PI4KA (0.56) PI4KAPIK3CG
SCHEMBL9954462 0.84 PI4KA (0.56) PI4KAPIK3CG
SCHEMBL9955594 0.80 PI4KA (0.71) PI4KAPIK3CG
SCHEMBL9955010 0.80 PI4KA (0.59) PI4KAPIK3CG
SCHEMBL9953600 0.80 PI4KA (0.57) PI4KAPIK3CGCYP3A4

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