SCHEMBL7003073

SCHEMBL7003073

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 2/20 0.36
PDE1A P54750 1/20 0.36
PDE1C Q14123 1/20 0.36
ADORA2A P29274 1/20 0.35
NPBWR1 P48145 3/20 0.34
POLB P06746 1/20 0.34
TYMS P04818 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
SIRT3 Q9NTG7 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34
MAPT P10636 1/20 0.34
IDO1 P14902 2/20 0.33
AGXT P21549 2/20 0.33
MCHR1 Q99705 1/20 0.33
PNP P00491 1/20 0.33
TP53 P04637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL7003301 0.88 ADORA2A (0.35) PDE1BPDE1APDE1CADORA2ANPBWR1
SCHEMBL7822690 0.80 P2RX7 (0.38) POLBMAPTTP53MEN1KMT2A
SCHEMBL7662109 0.74 ADORA1 (0.48) ADORA2AMEN1KMT2ALMNA
SCHEMBL8567698 0.72 ADORA1 (0.48) ADORA2AMEN1KMT2ALMNA
SCHEMBL7671571 0.71 TLR7 (0.45) PDE1BPDE1APDE1CNPBWR1POLB
SCHEMBL6996678 0.70 ABL1 (0.42) TYMSSIRT5MAPTPNPMEN1
SCHEMBL7665749 0.66 ADORA2B (0.43) ADORA2APOLBSIRT1SIRT3SIRT5
SCHEMBL6996703 0.65 SIRT1 (0.46) PDE1BPDE1APDE1CADORA2ASIRT1
SCHEMBL34413 0.64 IDO1 (0.67) IDO1AGXTTP53
Potassium SCHEMBL1477050 0.62 IDO1 (0.64) IDO1AGXTTP53

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