SCHEMBL6201479

SCHEMBL6201479

Nc1nc(N2CCN(Cc3ccc4nsnc4c3)CC2)cc2nc(-c3ccco3)nn12

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.55
ADORA1 P30542 6/20 0.55

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
SCHEMBL6629832 0.86 ADORA2A (0.70) ADORA2AADORA1
SCHEMBL6629505 0.85 ADORA2A (0.69) ADORA2AADORA1
SCHEMBL6629261 0.84 ADORA2A (0.62) ADORA2AADORA1
SCHEMBL6625514 0.84 ADORA2A (0.59) ADORA2AADORA1
SCHEMBL6628529 0.83 ADORA2A (0.54) ADORA2AADORA1
SCHEMBL6624742 0.83 ADORA2A (0.73) ADORA2AADORA1
SCHEMBL6625070 0.83 ADORA2A (0.53) ADORA2AADORA1
SCHEMBL6626704 0.82 ADORA2A (0.65) ADORA2AADORA1
SCHEMBL6625895 0.81 ADORA2A (0.56) ADORA2AADORA1
SCHEMBL6626724 0.81 ADORA2A (0.55) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1116722-B1 [1,2,4]TRIAZOLO[1,5-c]PYRIMIDINE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2005-01-12 EP disclosed
US-6545000-B1 Adenosine A2A receptor antagonists; treating Parkinson's disease KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-04-08 US disclosed
EP-1116722-A1 [1,2,4]TRIAZOLO[1,5-c]PYRIMIDINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-07-18 EP disclosed