SCHEMBL9952298

SCHEMBL9952298

CCN(CC)S(=O)(=O)c1cc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cnc1N

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 19/20 0.57
PIK3CG P48736 16/20 0.56
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL9955010 0.90 PI4KA (0.59) PI4KAPIK3CGALDH1A1HPGD
SCHEMBL9954511 0.84 PI4KA (0.64) PI4KAPIK3CG
SCHEMBL9954271 0.81 PI4KA (0.68) PI4KAPIK3CG
SCHEMBL9954298 0.81 PI4KA (0.60) PI4KAPIK3CG
SCHEMBL9954587 0.81 PI4KA (0.61) PI4KAPIK3CG
SCHEMBL10288670 0.80 PI4KA (0.57) PI4KAPIK3CGALDH1A1HPGD
SCHEMBL9954452 0.79 PI4KA (0.69) PI4KAPIK3CG
SCHEMBL10288761 0.79 PI4KA (0.57) PI4KAPIK3CGALDH1A1HPGD
SCHEMBL9954675 0.79 PI4KA (0.61) PI4KAPIK3CG
SCHEMBL9954494 0.78 PI4KA (0.63) 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