SCHEMBL6010221

SCHEMBL6010221

Nc1nc(NCC2CCCN2Cc2ccnc(Cl)c2)cc2nc(-c3ccco3)nn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.60

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
SCHEMBL5654463 0.92
SCHEMBL5422080 0.86
SCHEMBL5651503 0.82
SCHEMBL5096039 0.81
SCHEMBL6010459 0.80
SCHEMBL5654262 0.80 ADORA2A (0.61) ADORA2A
SCHEMBL6009805 0.79
SCHEMBL1755071 0.79 ADORA2A (0.74) ADORA2A
SCHEMBL5416179 0.77
SCHEMBL5109925 0.77 ADORA2A (0.62) 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