SCHEMBL9953607

SCHEMBL9953607

Nc1nc2ccc(Br)cc2c(=O)n1Cc1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.58
PKM P14618 4/20 0.58
MEN1 O00255 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP3A4 P08684 1/20 0.58
GABRA1 P14867 1/20 0.51
GABRA5 P31644 1/20 0.51
MAPK10 P53779 1/20 0.46
TBXAS1 P24557 1/20 0.46
PTAFR P25105 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
RXFP1 Q9HBX9 3/20 0.44
MAPT P10636 3/20 0.44
HTT P42858 1/20 0.44
POLB P06746 1/20 0.43
ALDH1A1 P00352 3/20 0.43

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
SCHEMBL9954631 0.85 KMT2A (0.46) KMT2APKMMEN1CYP1A2CYP2D6
SCHEMBL14247363 0.83 GABRA1 (0.52) KMT2APKMMEN1CYP1A2CYP2D6
SCHEMBL9952928 0.81 KMT2A (0.53) KMT2APKMMEN1CYP1A2CYP2D6
SCHEMBL5791447 0.81 CYP2D6 (0.53) KMT2APKMMEN1CYP1A2CYP2D6
SCHEMBL9953464 0.78 ALDH1A1 (0.57) KMT2APKMMEN1CYP3A4RXFP1
SCHEMBL9954589 0.77 ALOX12 (0.50) KMT2AMEN1GABRA1GABRA5TBXAS1
SCHEMBL9145974 0.76 GRK2 (0.56) KMT2APKMMEN1CYP1A2CYP2D6
SCHEMBL9149104 0.76 MEN1 (0.56) KMT2APKMMEN1CYP1A2CYP2D6
SCHEMBL10289136 0.76 CACNA2D1 (0.51) KMT2AMEN1CYP1A2CYP2D6OPRM1
SCHEMBL9952969 0.75 DPP4 (0.51) KMT2AMEN1OPRM1ALDH1A1TDP1

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