SCHEMBL7103495

SCHEMBL7103495

Cc1cnc([C@H]2O[C@@H](n3cnc4c(NCCC5CCCCC5)nc(N[C@H](CO)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)o1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.53
ADORA1 P30542 5/20 0.49
ADORA2B P29275 5/20 0.49
ADORA3 P0DMS8 5/20 0.49
PGK1 P00558 1/20 0.46
PGK2 P07205 1/20 0.46
CDK1 P06493 2/20 0.44
CDK5 Q00535 2/20 0.44

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
SCHEMBL7148231 1.00 ADORA2A (0.53) ADORA2AADORA1ADORA2BADORA3PGK1
SCHEMBL7148224 1.00 ADORA2A (0.53) ADORA2AADORA1ADORA2BADORA3PGK1
SCHEMBL7104786 0.91 ADORA2A (0.47) ADORA2AADORA1ADORA2BADORA3PGK1
SCHEMBL6839820 0.85 ADORA2A (0.53) ADORA2AADORA1ADORA2BADORA3PGK1
SCHEMBL7103493 0.82 ADORA2A (0.47) ADORA2AADORA1ADORA2BADORA3PGK1
Formic Acid SCHEMBL7104783 0.79 ADORA2A (0.45) ADORA2AADORA1ADORA2BADORA3PGK1
SCHEMBL6943628 0.77 ADORA2A (0.47) ADORA2AADORA1ADORA2BADORA3PGK1
SCHEMBL8092301 0.77 ADORA2A (0.47) ADORA2AADORA1ADORA2BADORA3PGK1
SCHEMBL7104790 0.75 ADORA2A (0.43) ADORA2AADORA1ADORA2BADORA3PGK1
SCHEMBL7144764 0.75 ADORA2A (0.57) ADORA2AADORA1ADORA2BADORA3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090023-B1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2003-09-10 EP claimed