SCHEMBL9954049

SCHEMBL9954049

Nc1nc2ccc(-c3cncc(Br)c3)cc2c(=O)n1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 15/20 0.53
PIK3CG P48736 12/20 0.53
HCAR1 Q9BXC0 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.40
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL9954428 0.83 PI4KA (0.56) PI4KAPIK3CG
SCHEMBL9953679 0.83 PI4KA (0.51) PI4KAPIK3CGHCAR1
SCHEMBL10288780 0.83 PI4KA (0.52) PI4KAPIK3CGHCAR1MAPT
SCHEMBL9955619 0.83 PI4KA (0.56) PI4KAPIK3CG
SCHEMBL10288787 0.82 PI4KA (0.50) PI4KAPIK3CGHCAR1MEN1KMT2A
SCHEMBL9953943 0.82 PI4KA (0.59) PI4KAPIK3CG
SCHEMBL9953980 0.81 ATM (0.51) PI4KAPIK3CGHCAR1MEN1KMT2A
SCHEMBL9954515 0.80 PI4KA (0.57) PI4KAPIK3CGMAPT
SCHEMBL10289152 0.80 PI4KA (0.48) PI4KAPIK3CGHCAR1
SCHEMBL10288740 0.80 PI4KA (0.53) PI4KAPIK3CGHCAR1

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