SCHEMBL6997253

SCHEMBL6997253

CCCc1nc2c([nH]1)c(=O)n(CCC)c1nc(-c3ccco3)nn21

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.48
ADORA2B P29275 5/20 0.48
ADORA3 P0DMS8 3/20 0.46
POLB P06746 1/20 0.41
ADORA1 P30542 1/20 0.41

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
SCHEMBL6995974 0.88 MEN1 (0.49) ADORA2AADORA2BADORA3ADORA1
SCHEMBL8563585 0.80 ADORA2B (0.54) ADORA2AADORA2BADORA3
SCHEMBL7002900 0.71 ADORA2B (0.51) ADORA2AADORA2BADORA3POLBADORA1
SCHEMBL8872400 0.71 ADORA2B (0.69) ADORA2AADORA2BADORA1
SCHEMBL27713795 0.69 SIRT1 (0.68) ADORA2AADORA2BPOLBADORA1
SCHEMBL7001673 0.69 SIRT1 (0.47) ADORA2AADORA2BADORA3POLBADORA1
SCHEMBL25539381 0.65 ADORA2A (0.58) ADORA2AADORA2BADORA3ADORA1
SCHEMBL8769258 0.64 ADORA2A (0.64) ADORA2AADORA2BADORA1
SCHEMBL7001583 0.64 ADORA2A (0.49) ADORA2AADORA2BADORA3
SCHEMBL1720432 0.63 ADORA2A (0.51) ADORA2AADORA2BADORA3ADORA1

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 claimed
EP-1087973-A1 IMIDAZOTRIAZOLOPYRIMIDINES USED AS A DRUG HAVING AN ADENOSINE ANTAGONIST ACTIVITY Boehringer Ingelheim Pharma KG (DE) 2001-04-04 EP claimed
WO-1999065912-A1 IMIDAZOTRIAZOLOPYRIMIDINES USED AS A DRUG HAVING AN ADENOSINE ANTAGONIST ACTIVITY BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-12-23 WO claimed
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