SCHEMBL3904997

SCHEMBL3904997

CCc1cc([C@H]2OC(n3cnc4c(NC(CC)CC)nc(N5CCC(N(C)C)C5)nc43)C(OC(=O)C(F)(F)F)[C@H]2O)on1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.35
ADORA2B P29275 5/20 0.35
ADORA3 P0DMS8 6/20 0.34
ADORA1 P30542 6/20 0.34

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
SCHEMBL4222276 1.00 ADORA2A (0.35) ADORA2AADORA2BADORA3ADORA1
SCHEMBL4222277 0.95 ADORA2A (0.36) ADORA2AADORA2BADORA3ADORA1
SCHEMBL3904406 0.92 ADORA1 (0.41) ADORA2AADORA2BADORA3ADORA1
Trifluoroacetic Acid SCHEMBL4222274 0.90 ADORA2A (0.41) ADORA2AADORA2BADORA3ADORA1
SCHEMBL4229542 0.90 ADORA2A (0.42) ADORA2AADORA2BADORA3ADORA1
SCHEMBL4220795 0.88 ADORA2A (0.38) ADORA2AADORA2BADORA3ADORA1
SCHEMBL3904411 0.87 ADORA1 (0.42) ADORA2AADORA2BADORA3ADORA1
SCHEMBL3978978 0.87 ADORA2A (0.39) ADORA2AADORA3ADORA1
SCHEMBL3907222 0.86 ADORA3 (0.44) ADORA2AADORA2BADORA3ADORA1
SCHEMBL4229547 0.85 ADORA2A (0.43) ADORA2AADORA2BADORA3ADORA1

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-2018381-A2 USE OF 2-(PURIN-9-YL)-TETRAHYDOFURAN-3,4-DIOL DERIVATIVES AS ADENOSINE A2A RECEPTOR AGONISTS Novartis AG (CH) 2009-01-28 EP disclosed
WO-2007121918-A2 USE OF 2-(PURIN-9-YL)-TETRAHYDOFURAN-3,4-DIOL DERIVATIVES AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO disclosed