SCHEMBL3905236

SCHEMBL3905236

O=C(OC1CN(c2nc(NCC(c3ccccc3)c3ccccc3)c3ncn(C4OC(CO)C(O)C4O)c3n2)CC1O)C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.57
ADORA3 P0DMS8 4/20 0.56
ADORA1 P30542 4/20 0.56
ADORA2B P29275 3/20 0.56

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
SCHEMBL4222207 1.00 ADORA2A (0.57) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4232859 1.00 ADORA2A (0.57) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4222210 1.00 ADORA2A (0.57) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4232857 1.00 ADORA2A (0.57) ADORA2AADORA3ADORA1ADORA2B
Trifluoroacetic Acid SCHEMBL4222205 0.91 ADORA2A (0.61) ADORA2AADORA3ADORA1ADORA2B
Trifluoroacetic Acid SCHEMBL4232854 0.91 ADORA2A (0.61) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4923640 0.88 ADORA2A (0.58) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4923638 0.87 ADORA2A (0.58) ADORA2AADORA3ADORA1ADORA2B
Trifluoroacetic Acid SCHEMBL4228232 0.86 ADORA2A (0.65) ADORA2AADORA3ADORA1ADORA2B
Trifluoroacetic Acid SCHEMBL4229603 0.85 ADORA2A (0.56) 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 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