SCHEMBL9953320

SCHEMBL9953320

Nc1ncc(-c2ccc3nc(N)n(-c4ccc(N5CCOCC5)cc4)c(=O)c3c2)cc1S(=O)(=O)Nc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 18/20 0.57
PIK3CG P48736 16/20 0.52
ATR Q13535 1/20 0.45
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45

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
SCHEMBL14247746 0.90 ATR (0.46) PI4KAPIK3CGATRPIK3CDPIK3CA
SCHEMBL9953864 0.90 PI4KA (0.67) PI4KAPIK3CG
SCHEMBL9954059 0.90 PI4KA (0.64) PI4KAPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL9954271 0.90 PI4KA (0.68) PI4KAPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL9953283 0.88 PI4KA (0.61) PI4KAPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL9953826 0.84 PI4KA (0.67) PI4KAPIK3CG
SCHEMBL9954130 0.83 PI4KA (0.62) PI4KAPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL14247252 0.83 PIK3CG (0.43) PI4KAPIK3CGATRPIK3CDPIK3CA
SCHEMBL9960593 0.81 PI4KA (0.62) PI4KAPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL9960577 0.81 PI4KA (0.74) 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