SCHEMBL9952928

SCHEMBL9952928

N#CNc1nc2ccc(Br)cc2c(=O)n1Cc1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
PKM P14618 4/20 0.53
MEN1 O00255 4/20 0.53
CYP3A4 P08684 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
GABRA1 P14867 1/20 0.46
GABRA5 P31644 1/20 0.46
TBXAS1 P24557 1/20 0.44
PTAFR P25105 1/20 0.44
CASP1 P29466 4/20 0.43
HSD17B10 Q99714 4/20 0.43
CASP7 P55210 2/20 0.43
MAPT P10636 3/20 0.43
RXFP1 Q9HBX9 2/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
GAA P10253 2/20 0.42

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
SCHEMBL9954454 0.87 MEN1 (0.41) KMT2APKMMEN1CYP3A4CYP1A2
SCHEMBL9953607 0.81 KMT2A (0.58) KMT2APKMMEN1CYP3A4CYP1A2
SCHEMBL9954225 0.80 ALDH1A1 (0.52) KMT2AMEN1CYP3A4MAPTALDH1A1
SCHEMBL31241102 0.77 CACNA2D1 (0.42) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL5791447 0.76 CYP2D6 (0.53) KMT2APKMMEN1CYP3A4CYP1A2
SCHEMBL6797484 0.74 POLB (0.72) KMT2AMEN1CYP1A2CYP2D6CYP2C9
SCHEMBL9955108 0.73 MEN1 (0.40) KMT2AMEN1CYP3A4ALDH1A1GAA
SCHEMBL9145974 0.71 GRK2 (0.56) KMT2APKMMEN1CYP3A4CYP1A2
SCHEMBL9149104 0.71 MEN1 (0.56) KMT2APKMMEN1CYP3A4CYP1A2
SCHEMBL9954047 0.71 HSD17B10 (0.41) KMT2AMEN1CYP3A4CYP1A2CYP2D6

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