SCHEMBL7106915

SCHEMBL7106915

Cc1nnc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(Cl)nc43)[C@@H]3OC(C)(C)O[C@@H]32)s1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.48
ADORA3 P0DMS8 8/20 0.48
ADORA1 P30542 7/20 0.48
ADORA2B P29275 5/20 0.45
NT5E P21589 3/20 0.41

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
SCHEMBL7098846 0.87 ADORA3 (0.58) ADORA2AADORA3ADORA1ADORA2BNT5E
SCHEMBL7103589 0.85 ADORA3 (0.48) ADORA2AADORA3ADORA1ADORA2BNT5E
SCHEMBL7103592 0.85 ADORA3 (0.48) ADORA2AADORA3ADORA1ADORA2BNT5E
SCHEMBL7208372 0.84 ADORA3 (0.49) ADORA2AADORA3ADORA1ADORA2BNT5E
SCHEMBL7106892 0.82 ADORA3 (0.48) ADORA2AADORA3ADORA1ADORA2BNT5E
SCHEMBL7104759 0.82 ADORA3 (0.48) ADORA2AADORA3ADORA1ADORA2BNT5E
SCHEMBL7106895 0.82 ADORA3 (0.48) ADORA2AADORA3ADORA1ADORA2BNT5E
SCHEMBL7103371 0.82 ADORA3 (0.56) ADORA2AADORA3ADORA1ADORA2BNT5E
SCHEMBL6835048 0.82 ADORA3 (0.56) ADORA2AADORA3ADORA1ADORA2BNT5E
SCHEMBL7762177 0.82 ADORA3 (0.49) ADORA2AADORA3ADORA1ADORA2BNT5E

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