SCHEMBL7098846

SCHEMBL7098846

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

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.58
ADORA2A P29274 9/20 0.58
ADORA1 P30542 7/20 0.58
ADORA2B P29275 5/20 0.58
NT5E P21589 1/20 0.53

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
SCHEMBL7106915 0.87 ADORA2A (0.48) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL7098452 0.84 ADORA2A (0.56) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7153791 0.84 ADORA2A (0.56) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7098449 0.83 ADORA2A (0.52) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7098453 0.83 ADORA2A (0.73) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7209416 0.83 ADORA3 (0.55) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL7103921 0.83 ADORA2A (0.60) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL1415122 0.82 ADORA2A (0.75) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL1415120 0.82 ADORA2A (0.75) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL8325836 0.82 ADORA2A (0.75) 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