SCHEMBL6939834

SCHEMBL6939834

CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 1.00
ADORA3 P0DMS8 5/20 1.00
ADORA2B P29275 4/20 1.00
ADORA1 P30542 1/20 1.00

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
SCHEMBL5359028 1.00 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5359016 1.00 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5734713 0.97 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5734723 0.97 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
SCHEMBL9166176 0.96 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6938649 0.96 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
SCHEMBL12958834 0.96 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
SCHEMBL21710733 0.96 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
SCHEMBL9173436 0.96 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5737339 0.96 ADORA2A (1.00) 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
EP-0967220-B1 Novel arabinosyladenine derivatives NIPPON ZOKI PHARMACEUTICAL CO (JP) 2003-04-09 EP disclosed
EP-0967220-A1 Novel arabinosyladenine derivatives NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1999-12-29 EP disclosed