SCHEMBL3081863

SCHEMBL3081863

Cc1cn(C)nc1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.49
ADORA1 P30542 2/20 0.49
IRAK4 Q9NWZ3 12/20 0.42
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
PKM P14618 1/20 0.40
ADORA2B P29275 1/20 0.40
KAT2B Q92831 1/20 0.40
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36

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
Hydrochloric Acid SCHEMBL4030867 0.98 ADORA2A (0.47) ADORA2AADORA1IRAK4KDM4ELMNA
Hydrochloric Acid SCHEMBL4032485 0.98 ADORA2A (0.47) ADORA2AADORA1IRAK4KDM4ELMNA
SCHEMBL631704 0.81 KDM4E (0.39) ADORA2AADORA1KDM4ELMNAMAPT
SCHEMBL18723264 0.81 LMNA (0.36) ADORA2AADORA1KDM4ELMNAPKM
SCHEMBL25150175 0.80 ADORA2A (0.36) ADORA2AADORA1IRAK4LMNAADORA3
SCHEMBL2214484 0.79 LMNA (0.41) KDM4ELMNAMAPTKMT2ACASP3
SCHEMBL1833232 0.79 ADORA2A (0.49) ADORA2AADORA1IRAK4KDM4ELMNA
SCHEMBL1703833 0.79 ADORA2A (0.53) ADORA2AADORA1IRAK4KDM4ELMNA
SCHEMBL31759474 0.79 ADORA2A (0.49) ADORA2AADORA1IRAK4KDM4ELMNA
SCHEMBL23367048 0.79 ADORA2A (0.36) ADORA2AADORA1KDM4ELMNAADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115515681-A GPR52 modulator compounds 赫普泰雅治疗有限公司 2022-12-23 CN claimed
WO-2020206518-A1 MULTIPURPOSE BIOLOGICAL COMPOSITIONS AGRIVALLE BRASIL INDUSTRIA E COMÉRCIO DE PRODUTOS AGRÍCOLAS LTDA (BR) 2020-10-15 WO claimed
CN-105745214-B Tricyclic piperidine compounds 埃科特莱茵药品有限公司 2019-02-19 CN claimed
CN-108669088-A Include the composition of biocontrol agent and the fungicide selected from Cell wall synthesis inhibitor 拜耳作物科学股份公司 2018-10-19 CN claimed
CN-108658816-A Trifluoroethyl sulfide derivatives as the substitution of the N- aryl amidines of acaricide and insecticide 拜尔农作物科学股份公司 2018-10-16 CN claimed
CN-104507310-B Compositions comprising biological control agents and insecticides 拜尔农作物科学股份公司 2018-04-13 CN claimed
CN-107568247-A Include biocontrol agent and insecticide composition 拜耳农作物科学股份公司 2018-01-12 CN claimed
EP-2928868-B1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2017-08-09 EP claimed
CN-106928196-A A kind of pyrazolecarboxamide yl-benzamide and its production and use 武汉工程大学 2017-07-07 CN claimed
CN-105851014-A Anthranilamides in combination with fungicides 拜耳知识产权有限责任公司 2016-08-17 CN claimed
CN-102595889-A Use of succinate dehydrogenase inhibitors for controlling sclerotinia fungi BAYER CROPSCIENCE AG 2012-07-18 CN claimed
CN-102573479-A 3-[1-(3-haloalkyl)-triazolyl]-phenyl-sulfide derivatives for use as acaricides and insecticides BAYER CROPSCIENCE AG 2012-07-11 CN claimed
CN-102480965-A Fungicidal combination of active yeasts and fungicides BAYER CROPSCIENCE AG 2012-05-30 CN claimed
CN-102471291-A 3-triazolylphenyl-substituted sulfide derivatives for use as acaricides and insecticides BAYER CROPSCIENCE AG 2012-05-23 CN claimed
CN-102469786-A Process for improving seedling growth and/or early emergence of crops BAYER CROPSCIENCE AG 2012-05-23 CN claimed
CN-102256489-A Active compound combinations BAYER CROPSCIENCE AG 2011-11-23 CN claimed
CN-102227166-A Pesticidal compositions comprising tetrazolyloxime derivatives and fungicidal or insecticidal active substances BAYER CROPSCIENCE SA 2011-10-26 CN claimed
CN-101977501-A Pesticidal compositions comprising tetrazolyloxime derivatives and fungicidal or insecticidal active substances BAYER CROPSCIENCE AG 2011-02-16 CN claimed
CN-101855206-A N- (2- (heteroaryl) aryl) arylsulfonamides and N- (2- (heteroaryl) arylsulfonamides CHEMOCENTRYX INC 2010-10-06 CN claimed
CN-101237777-A Active substance combinations BAYER CROPSCIENCE AG (DE) 2008-08-06 CN claimed