SCHEMBL7567108

SCHEMBL7567108

CCc1noc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccccc5)nc43)[C@H](OC=O)[C@@H]2O)n1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.57
ADORA3 P0DMS8 12/20 0.56
ADORA2B P29275 9/20 0.56
ADORA1 P30542 5/20 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
SCHEMBL7202952 0.92 ADORA2A (0.57) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7207505 0.90 ADORA2A (0.70) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8092955 0.84 ADORA1 (0.47) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7566398 0.84 ADORA1 (0.47) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7230915 0.83 ADORA2A (0.68) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7456402 0.83 ADORA2A (0.68) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7203736 0.81 ADORA2A (0.69) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7203440 0.79 ADORA2A (0.45) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7104998 0.77 ADORA2A (0.47) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7103626 0.77 ADORA2A (0.47) ADORA2AADORA3ADORA2BADORA1

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-1056759-B1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-09-04 EP disclosed