SCHEMBL9327015

SCHEMBL9327015

N#Cc1ccc(Oc2nc(N)n3nc(-c4ccco4)nc3n2)cc1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.76
ADORA3 P0DMS8 11/20 0.76
ADORA2B P29275 6/20 0.76
ADORA1 P30542 7/20 0.57

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
SCHEMBL9325976 0.89 ADORA2A (0.72) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7829659 0.87 ADORA3 (1.00) ADORA2AADORA3ADORA2BADORA1
SCHEMBL9327327 0.86 ADORA3 (0.81) ADORA2AADORA3ADORA2BADORA1
SCHEMBL9328980 0.86 ADORA2A (0.81) ADORA2AADORA3ADORA2BADORA1
SCHEMBL9328695 0.86 ADORA2A (0.81) ADORA2AADORA3ADORA2BADORA1
SCHEMBL9328873 0.86 ADORA3 (0.81) ADORA2AADORA3ADORA2BADORA1
SCHEMBL9327042 0.86 ADORA2A (0.81) ADORA2AADORA3ADORA2BADORA1
SCHEMBL9327402 0.82 ADORA2A (0.78) ADORA2AADORA3ADORA2BADORA1
SCHEMBL9326060 0.82 ADORA2A (0.68) ADORA2AADORA3ADORA2BADORA1
SCHEMBL9325945 0.81 ADORA2A (0.76) ADORA2AADORA3ADORA2BADORA1

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
US-5356894-A Adenosine antagonists SYNGENTA LIMITED (GB) 1994-10-18 US disclosed
US-5270311-A [1,2,4]-Triazolo[1,5-a]and pyrazolo[2,3-a][1,3,5]triazine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-14 US disclosed