SCHEMBL2367738

SCHEMBL2367738

CC(C)n1cc(-c2nc(N)c3ncn([C@@H]4OC(CO)[C@@H](O)[C@H]4O)c3n2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 1.00
ADORA2B P29275 3/20 0.61

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
SCHEMBL13817438 1.00 ADORA2A (1.00) ADORA2AADORA2B
SCHEMBL13817178 1.00 ADORA2A (1.00) ADORA2AADORA2B
SCHEMBL13403867 1.00 ADORA2A (1.00) ADORA2AADORA2B
SCHEMBL272621 1.00 ADORA2A (1.00) ADORA2AADORA2B
SCHEMBL13403866 0.88 ADORA2A (0.78) ADORA2A
SCHEMBL13437722 0.88 ADORA2A (0.78) ADORA2A
SCHEMBL272005 0.88 ADORA2A (0.78) ADORA2A
SCHEMBL272622 0.85 ADORA2A (0.89) ADORA2AADORA2B
SCHEMBL2367743 0.85 ADORA2A (0.89) ADORA2AADORA2B
SCHEMBL7804687 0.82 ADORA2A (1.00) ADORA2AADORA2B

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-2056834-B1 METHODS AND COMPOSITIONS FOR INCREASING PATIENT TOLERABILITY DURING MYOCARDIAL IMAGING METHODS GILEAD SCIENCES INC (US) 2012-08-29 EP disclosed
EP-2366396-A1 Myocardial perfusion imaging using adenosine receptor agonists Gilead Palo Alto, Inc. (US) 2011-09-21 EP disclosed