SCHEMBL7103626

SCHEMBL7103626

CCc1nnc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N[C@H](CO)Cc5ccccc5)nc43)[C@H](OC=O)[C@@H]2O)o1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.47
ADORA1 P30542 7/20 0.46
ADORA3 P0DMS8 7/20 0.46
ADORA2B P29275 7/20 0.46

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
SCHEMBL7144764 0.91 ADORA2A (0.57) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7102326 0.91 ADORA2A (0.57) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7104998 0.89 ADORA2A (0.47) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7104788 0.88 ADORA2A (0.47) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL6839786 0.88 ADORA2A (0.46) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7099576 0.86 ADORA2A (0.47) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7102136 0.86 ADORA2A (0.48) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7231164 0.86 ADORA2A (0.54) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7119044 0.85 ADORA2A (0.46) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7762317 0.85 ADORA2A (0.46) ADORA2AADORA1ADORA3ADORA2B

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 3 patents. 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 disclosed
EP-1090023-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-04-11 EP disclosed
WO-1999067264-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-12-29 WO disclosed