SCHEMBL7339258

SCHEMBL7339258

Nc1nc2nn(CCc3ccc(O)c(O)c3)cc2c2nc(-c3ccco3)nn12

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 17/20 0.76
ADORA2A P29274 14/20 0.76
ADORA1 P30542 11/20 0.76
ADORA2B P29275 10/20 0.76

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
SCHEMBL7347236 0.90 ADORA3 (0.83) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4759270 0.86 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7345244 0.85 ADORA3 (0.72) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL8124426 0.84 ADORA2A (0.84) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL8125150 0.83 ADORA3 (0.69) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7342467 0.82 ADORA2A (0.72) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7346016 0.81 ADORA2A (0.90) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4759841 0.81 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4824435 0.81 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4758498 0.79 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0856003-B1 1,2,4-TRIAZOLO 1,5-c]PYRIMIDINE HETEROCYCLIC ANALOGUES HAVING ANTAGONISTIC ACTIVITY ON ADENOSINE A 2a? RECEPTOR SCHERING CORP (US) 2000-12-27 EP claimed
EP-0856003-B1 1,2,4-TRIAZOLO 1,5-c]PYRIMIDINE HETEROCYCLIC ANALOGUES HAVING ANTAGONISTIC ACTIVITY ON ADENOSINE A 2a? RECEPTOR SCHERING CORP (US) 2000-12-27 EP disclosed
EP-0856003-A1 1,2,4-TRIAZOLO 1,5-c]PYRIMIDINE HETEROCYCLIC ANALOGUES HAVING ANTAGONISTIC ACTIVITY ON ADENOSINE A 2a? RECEPTOR SCHERING CORPORATION (US) 1998-08-05 EP disclosed
WO-1997005138-A1 1,2,4-TRIAZOLO[1,5-c]PYRIMIDINE HETEROCYCLIC ANALOGUES HAVING ANTAGONISTIC ACTIVITY ON ADENOSINE A2a RECEPTOR SCHERING-PLOUGH S.P.A. (IT) 1997-02-13 WO disclosed