SCHEMBL7106547

SCHEMBL7106547

CCc1nc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(Cl)nc43)[C@H](O)[C@@H]2O)no1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 11/20 0.54
ADORA2A P29274 11/20 0.54
ADORA1 P30542 10/20 0.54
ADORA2B P29275 9/20 0.54
NT5E P21589 3/20 0.51

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
SCHEMBL7098440 0.87 ADORA2A (0.57) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7104891 0.87 ADORA2A (0.48) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL7104888 0.87 ADORA2A (0.48) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL2806951 0.87 ADORA3 (0.53) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7100132 0.86 ADORA3 (0.54) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL7211345 0.86 ADORA2A (0.54) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL7099001 0.85 ADORA3 (0.58) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7214818 0.84 ADORA2A (0.53) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7105571 0.84 ADORA2A (0.57) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7152909 0.84 ADORA2A (0.57) ADORA3ADORA2AADORA1ADORA2B

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