SCHEMBL3186159

SCHEMBL3186159

O=C(c1cnccn1)c1cnccn1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.70
NAPRT Q6XQN6 1/20 0.70
HCAR2 Q8TDS4 1/20 0.70
ADORA3 P0DMS8 1/20 0.67
TSHR P16473 1/20 0.67
MC4R P32245 1/20 0.67
ADRA1A P35348 1/20 0.67
MC3R P41968 1/20 0.67
BAZ2B Q9UIF8 1/20 0.54
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MCL1 Q07820 1/20 0.46
PABPC1 P11940 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
GAA P10253 2/20 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
SCHEMBL5261595 0.85 KMT2A (0.58) KDM4ENAPRTHCAR2ADORA3TSHR
SCHEMBL6765693 0.84 KDM4E (0.57) KDM4ENAPRTHCAR2ADORA3TSHR
SCHEMBL7618500 0.84 KDM4E (0.70) KDM4ENAPRTHCAR2ADORA3TSHR
SCHEMBL2536804 0.82
Pyrazinoic Acid SCHEMBL29651929 0.82
Pyrazinoic Acid SCHEMBL23757 0.82
SCHEMBL30593013 0.81 KMT2A (0.63) KDM4ENAPRTHCAR2ADORA3TSHR
SCHEMBL4019791 0.81 KMT2A (0.63) KDM4ENAPRTHCAR2ADORA3TSHR
Pyrazinamide SCHEMBL18364989 0.80
Pyrazinoic Acid SCHEMBL6631652 0.80 KDM4E (0.95) KDM4ENAPRTHCAR2ADORA3TSHR

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 328 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109336887-A A kind of benzimidazole and chiral heterocycle class compound and its preparation method and application 中山大学 2019-02-15 CN claimed
CN-107108528-A The manufacture method of dihydro pyrazine ketone derivatives 旭硝子株式会社 2017-08-29 CN claimed
CN-105622422-A Bromohexahydro indanone compound and preparation method and application thereof UNIV NANKAI 2016-06-01 CN claimed
CN-103998042-A Use of inhibitors of the activity or function of PI3K NOVARTIS AG 2014-08-20 CN claimed
CN-103906733-A TRMP8 antagonists and their use in treatments AMGEN INC 2014-07-02 CN claimed
CN-103764145-A Isoxazolines as therapeutic agents ABBOTT LAB 2014-04-30 CN claimed
CN-103232448-A 4, 5-dihydro thiazole alcoholic ester derivative containing 4-methyl-1, 2, 3-thiadiazole and preparation method and application thereof UNIV NANKAI 2013-08-07 CN claimed
CN-103214474-A 5-methyl-1,2,3-thiadiazole derivatives containing 4,5-dihydrothiazole alcohol acid esters and preparation methods and application thereof UNIV NANKAI 2013-07-24 CN claimed
CN-103214476-A Formamidine derivatives containing 4-methyl-1,2,3-thiadiazole, and preparation methods and uses UNIV NANKAI 2013-07-24 CN claimed
CN-103214432-A 5-methyl-1,2,3-thiadiazole based alpha-(substituted)oxyamide derivatives and preparation methods and application thereof UNIV NANKAI 2013-07-24 CN claimed
CN-1351593-A Substituted polycyclic aryl and heteroaryl pyrymidinones useful as anticoagulants agents PHARMACIA CO (US) 2002-05-29 CN claimed
CN-1351595-A Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade PHARMACIA CO (US) 2002-05-29 CN claimed
CN-1344268-A Use of imidazo [1,5-a]pyrido[3,2-e]-pyrazinones as medicaments DRESDEN ARZNEIMITTEL (DE) 2002-04-10 CN claimed
CN-1297352-A Use of organophosphorous compounds for the therapeutic and prophylactic treatment of infections HASSAN JOMAA (DE) 2001-05-30 CN claimed
CN-1286254-A Aromatic amino ethers as analgesic agents ZENECA LTD (GB) 2001-03-07 CN claimed
CN-1058968-C Novel pyrido [3,2-e] pyrazinones with anti-asthmatic action and processes for their manufacture ASTA MEDICA AG (DE) 2000-11-29 CN claimed
CN-1154106-A Aromatic amino ethers as analgesic agents ZENECA LTD (GB) 1997-07-09 CN claimed
CN-1140173-A Novel pyrido [3,2-e] pyrazinones with anti-asthmatic action and processes for their manufacture ASTA MEDICA AG (DE) 1997-01-15 CN claimed
CN-1065270-A The thieno-pyran derivate method of preparation enantiomer-pure ORTHO PHARMA CORP (US) 1992-10-14 CN claimed
CN-1031378-A Antimicrobial compounds ICI PLC (GB) 1989-03-01 CN claimed