SCHEMBL7003301

SCHEMBL7003301

CCn1c(=O)c(N=O)c(N)n2nc(COCc3ccc(OC)cc3)nc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.35
PDE1A P54750 2/20 0.34
PDE1B Q01064 2/20 0.34
PDE1C Q14123 2/20 0.34
MAPT P10636 2/20 0.32
SIRT1 Q96EB6 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32
SIRT5 Q9NXA8 1/20 0.32
TYMS P04818 1/20 0.32
NPBWR1 P48145 2/20 0.32
SCNN1A P37088 1/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
MCHR1 Q99705 1/20 0.31
PNP P00491 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL7003073 0.88 PDE1B (0.36) ADORA2APDE1APDE1BPDE1CMAPT
SCHEMBL7822690 0.77 P2RX7 (0.38) MAPTLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL7662109 0.71 ADORA1 (0.48) ADORA2ALMNAMEN1KMT2A
SCHEMBL8567698 0.69 ADORA1 (0.48) ADORA2ALMNAMEN1KMT2A
SCHEMBL7671571 0.68 TLR7 (0.45) PDE1APDE1BPDE1CNPBWR1LMNA
SCHEMBL6996678 0.67 ABL1 (0.42) MAPTSIRT5TYMSLMNAKDM4E
SCHEMBL16028568 0.65 ALDH1A1 (0.47) MAPTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL7665749 0.63 ADORA2B (0.43) ADORA2AMAPTSIRT1SIRT3SIRT5
SCHEMBL6996703 0.63 SIRT1 (0.46) ADORA2APDE1APDE1BPDE1CSIRT1
SCHEMBL34413 0.61 IDO1 (0.67) ALDH1A1HTTSMN1; SMN2IDO1AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1087973-B1 IMIDAZOTRIAZOLOPYRIMIDINES USED AS A DRUG HAVING AN ADENOSINE ANTAGONIST ACTIVITY BOEHRINGER INGELHEIM PHARMA (DE) 2003-01-08 EP disclosed
US-6492377-B1 Imidazotriazolopyrimidines with adenosine-antagonistic activity BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-12-10 US disclosed
EP-1087973-A1 IMIDAZOTRIAZOLOPYRIMIDINES USED AS A DRUG HAVING AN ADENOSINE ANTAGONIST ACTIVITY Boehringer Ingelheim Pharma KG (DE) 2001-04-04 EP disclosed
WO-2000012511-A1 IMIDAZOTRIAZOLOPYRIMIDINES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-03-09 WO disclosed
WO-1999065912-A1 IMIDAZOTRIAZOLOPYRIMIDINES USED AS A DRUG HAVING AN ADENOSINE ANTAGONIST ACTIVITY BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-12-23 WO disclosed