SCHEMBL9955010

SCHEMBL9955010

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

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 19/20 0.59
PIK3CG P48736 16/20 0.59
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
PLA2G1B P04054 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40

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
SCHEMBL10288670 0.90 PI4KA (0.57) PI4KAPIK3CGKDM4EALDH1A1LMNA
SCHEMBL9952298 0.90 PI4KA (0.57) PI4KAPIK3CGALDH1A1HPGD
SCHEMBL9954452 0.89 PI4KA (0.69) PI4KAPIK3CG
SCHEMBL10288761 0.89 PI4KA (0.57) PI4KAPIK3CGKDM4EALDH1A1LMNA
SCHEMBL9954298 0.87 PI4KA (0.60) PI4KAPIK3CG
SCHEMBL9954511 0.86 PI4KA (0.64) PI4KAPIK3CG
SCHEMBL9954271 0.83 PI4KA (0.68) PI4KAPIK3CG
SCHEMBL9954217 0.83 PI4KA (0.56) PI4KAPIK3CGKDM4EALDH1A1LMNA
SCHEMBL9954996 0.82 PI4KA (0.67) PI4KAPIK3CG
SCHEMBL9954587 0.81 PI4KA (0.61) 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