SCHEMBL3910312

SCHEMBL3910312

O=C(c1ccco1)N1CCN(c2nc(NCC(c3ccccc3)c3ccccc3)c3ncn(C4O[C@H](COC(=O)C(F)(F)F)C(O)C4O)c3n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NT5E P21589 2/20 0.51
ADORA2A P29274 15/20 0.50
ADORA3 P0DMS8 5/20 0.47
ADORA2B P29275 5/20 0.47
ADORA1 P30542 5/20 0.47

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
SCHEMBL4220096 1.00 NT5E (0.51) NT5EADORA2AADORA3ADORA2BADORA1
Trifluoroacetic Acid SCHEMBL4220094 0.91 ADORA2A (0.56) NT5EADORA2AADORA3ADORA2BADORA1
SCHEMBL3907295 0.83 ADORA1 (0.52) NT5EADORA2AADORA3ADORA2BADORA1
SCHEMBL3905256 0.83 ADORA2A (0.53) NT5EADORA2AADORA3ADORA2BADORA1
SCHEMBL4230807 0.83 ADORA2A (0.52) NT5EADORA2AADORA3ADORA2BADORA1
SCHEMBL3908456 0.81 ADORA2A (0.53) NT5EADORA2AADORA3ADORA2BADORA1
SCHEMBL4220847 0.80 ADORA2A (0.52) NT5EADORA2AADORA3ADORA2BADORA1
SCHEMBL3905714 0.80 ADORA2A (0.51) NT5EADORA2AADORA3ADORA2BADORA1
SCHEMBL4088376 0.80 ADORA2A (0.51) NT5EADORA2AADORA3ADORA2BADORA1
SCHEMBL4222703 0.80 ADORA2A (0.51) NT5EADORA2AADORA3ADORA2BADORA1

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