Pyrazine

Pyrazine

SCHEMBL9102227

O=S(=O)([O-])CCCN1c2ccccc2Sc2ccccc21.[Na+].c1cnccn1.c1cnccn1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Pyrazine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A known ✓ P35498 1/20 0.47
PDE3A known ✓ Q14432 1/20 0.47
SCN2A known ✓ Q99250 1/20 0.47
SCN3A known ✓ Q9NY46 1/20 0.47
KDM4E B2RXH2 3/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57
DUSP3 P51452 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
KDM1A O60341 11/20 0.51
PIM1 P11309 1/20 0.49
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP3A4 P08684 1/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.47

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
SCHEMBL48846 0.93 KDM4E (0.62) KDM4ECYP2C9HPGDDUSP3L3MBTL1
SCHEMBL30611012 0.93 KDM4E (0.62) KDM4ECYP2C9HPGDDUSP3L3MBTL1
Lithium Ion SCHEMBL18104080 0.90 KDM4E (0.59) KDM4ECYP2C9HPGDDUSP3L3MBTL1
SCHEMBL3774110 0.89 KDM4E (0.58) KDM4ECYP2C9HPGDDUSP3L3MBTL1
Pyrazine SCHEMBL9105851 0.81 KDM4E (0.41) KDM4ECYP2C9HPGDDUSP3L3MBTL1
SCHEMBL48681 0.77 MEN1 (0.58) KDM4EHPGDL3MBTL1KDM1APIM1
SCHEMBL30115197 0.77 MEN1 (0.58) KDM4EHPGDL3MBTL1KDM1APIM1
SCHEMBL30115198 0.77 MEN1 (0.58) KDM4EHPGDL3MBTL1KDM1APIM1
SCHEMBL26597840 0.77 PIM1 (0.57) KDM4EL3MBTL1KDM1APIM1CYP1A2
SCHEMBL8444747 0.76 MEN1 (0.57) KDM4EHPGDL3MBTL1KDM1APIM1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8192948-B1 Chemifluorescent substrate for peroxide and peroxidase detection PIERCE BIOTECHNOLOGY, INC. (US) 2012-06-05 US disclosed
EP-0361470-B1 Method for the chemiluminescence assay of the activity of peroxidase FUJIREBIO KK (JP) 1993-12-22 EP disclosed
US-5171668-A Measuring light emitted from contacting (iso)luminol, peroxide, peroxidase activity enhancer, such as indoanilines, phenolindophenol and N-methylphenothiazine, with labeled peroxidase antibody-antigen complex FUJIREBIO INC. (JP) 1992-12-15 US disclosed
EP-0361470-A2 Method for the chemiluminescence assay of the activity of peroxidase FUJIREBIO INC. (JP) 1990-04-04 EP disclosed