Sugi Predict

Sugi Predict / Compounds / SCHEMBL8092227

SCHEMBL8092227

SCHEMBL8092227

CCC(=O)CC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(Cl)nc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 16/20 0.52
▸ ADORA3 P0DMS8 10/20 0.52
▸ ADORA1 P30542 7/20 0.52
▸ ADORA2B P29275 6/20 0.52

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
SCHEMBL7103371 0.91 ADORA3 (0.56) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6835048 0.91 ADORA3 (0.56) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6839837 0.91 ADORA2A (0.49) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7106559 0.89 ADORA2A (0.55) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4433192 0.89 ADORA2A (0.65) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL238290 0.89 ADORA2A (0.65) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7106368 0.88 ADORA2A (0.52) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7104798 0.88 ADORA2A (0.56) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL8086128 0.88 ADORA3 (0.54) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6839810 0.87 ADORA2A (0.52) ADORA2AADORA3ADORA1ADORA2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051425-A2 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-11-15 — — EP disclosed
WO-1999038877-A2 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-08-05 — — WO disclosed