SCHEMBL6010465

SCHEMBL6010465

Nc1cc2nc(-c3ccco3)nn2c(NC(Cc2cc(Cl)nc(Cl)c2)C2CCCN2)n1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.37
ADORA1 P30542 1/20 0.36

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
SCHEMBL6009814 0.90 ADORA2A (0.38) ADORA2AADORA1
SCHEMBL5785842 0.76 ADORA2A (0.54) ADORA2AADORA1
SCHEMBL5654491 0.75 ADORA2A (0.42) ADORA2AADORA1
SCHEMBL5785482 0.74 ADORA2A (0.55) ADORA2AADORA1
SCHEMBL6009786 0.74 ADORA2A (0.45) ADORA2A
SCHEMBL6010013 0.74 ADORA2A (0.43) ADORA2A
SCHEMBL6010459 0.73
SCHEMBL6010438 0.72
SCHEMBL6010026 0.72 ADORA2A (0.45) ADORA2AADORA1
SCHEMBL6010043 0.70 ADORA2A (0.36) ADORA2AADORA1

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