SCHEMBL6010331

SCHEMBL6010331

CN(c1cc2nc(-c3ccco3)nn2c(N)n1)C(Cc1cc2ccccc2o1)C1CCCN1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.45

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
SCHEMBL6010043 0.88 ADORA2A (0.36) ADORA2A
SCHEMBL6009749 0.85 ADORA2A (0.45) ADORA2A
SCHEMBL6010326 0.77 ADORA2A (0.44) ADORA2A
SCHEMBL5656150 0.76 ADORA2A (0.57) ADORA2A
SCHEMBL5801640 0.73 ADORA3 (0.50) ADORA2A
SCHEMBL6010438 0.73
SCHEMBL6010001 0.73 ADORA2A (0.38) ADORA2A
SCHEMBL6009719 0.72 ADORA2A (0.38) ADORA2A
SCHEMBL6010457 0.70 ADORA2A (0.42) ADORA2A
SCHEMBL6009786 0.69 ADORA2A (0.45) ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1618109-A2 TRIAZOLO[1,5-C]PYRIMIDINES AND PYRAZOLO[1,5-C]PYRIMIDINES USEFUL AS A2A ADENOSINE RECEPTOR ANTAGONISTS Biogen Idec MA Inc. (US) 2006-01-25 EP claimed
WO-2004092172-A2 TRIAZOLO[1,5-C]PYRIMIDINES AND PYRAZOLO[1,5-C]PYRIMIDINES USEFUL AS A2A ADENOSIN E RECEPTOR ANTAGONISTS BIOGEN IDEC MA INC. (US) 2004-10-28 WO claimed