SCHEMBL7103371

SCHEMBL7103371

CC1(C)OC2C(C(=O)O)OC(n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(Cl)nc43)C2O1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 11/20 0.56
ADORA2A P29274 11/20 0.56
ADORA1 P30542 5/20 0.56
ADORA2B P29275 4/20 0.56
NT5E P21589 1/20 0.49

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
SCHEMBL6835048 1.00 ADORA3 (0.56) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL8086128 0.96 ADORA3 (0.54) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL7106559 0.94 ADORA2A (0.55) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL7104798 0.93 ADORA2A (0.56) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL238290 0.92 ADORA2A (0.65) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4433192 0.92 ADORA2A (0.65) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL8092227 0.91 ADORA2A (0.52) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7104916 0.91 ADORA2A (0.53) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6839107 0.91 ADORA3 (0.55) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL6839105 0.91 ADORA2A (0.55) 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