SCHEMBL9954252

SCHEMBL9954252

COc1ccc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 13/20 0.61
PIK3CG P48736 10/20 0.61
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
USP2 O75604 1/20 0.49
CASP1 P29466 1/20 0.49
PTGS2 P35354 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
MAP3K11 Q16584 1/20 0.47

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
SCHEMBL9954698 0.87 PI4KA (0.72) PI4KAPIK3CG
SCHEMBL9953490 0.84 PI4KA (0.65) PI4KAPIK3CGUSP2CASP1ALDH1A1
SCHEMBL9953522 0.81 PI4KA (0.73) PI4KAPIK3CGCASP1MAPT
SCHEMBL10288890 0.80 PI4KA (0.65) PI4KAPIK3CGALDH1A1
SCHEMBL9953082 0.79 PI4KA (0.70) PI4KAPIK3CG
SCHEMBL9955594 0.78 PI4KA (0.71) PI4KAPIK3CG
SCHEMBL9953192 0.78 PI4KA (0.77) PI4KAPIK3CG
SCHEMBL9954652 0.78 PI4KA (0.76) PI4KAPIK3CG
SCHEMBL9953916 0.77 PI4KA (0.70) PI4KAPIK3CG
Lithium SCHEMBL9953931 0.77 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 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