SCHEMBL3901148

SCHEMBL3901148

N[C@@H]1CCN(c2nc(NCC(c3ccccc3)c3ccccc3)c3ncn([C@@H]4O[C@H](CO)C(O)C4OC(=O)C(F)(F)F)c3n2)C1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.51
ADORA3 P0DMS8 5/20 0.48
ADORA1 P30542 5/20 0.48
ADORA2B P29275 4/20 0.48

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
SCHEMBL4215958 1.00 ADORA2A (0.51) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4221934 1.00 ADORA2A (0.51) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4230189 0.97 ADORA2A (0.52) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4221936 0.95 ADORA2A (0.51) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4215959 0.95 ADORA2A (0.51) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL3907187 0.92 ADORA2A (0.52) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4230196 0.92 ADORA2A (0.52) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4228236 0.91 ADORA2A (0.56) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4229573 0.91 ADORA2A (0.49) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4232881 0.91 ADORA2A (0.49) ADORA2AADORA3ADORA1ADORA2B

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 claimed
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 claimed