SCHEMBL7206682

SCHEMBL7206682

CC(=O)O[C@@H]1[C@H](O)[C@@H](c2nc(C)no2)O[C@H]1n1cnc2c(N)nc(Cl)nc21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.52
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA9 Q16790 1/20 0.47
ADORA2A P29274 4/20 0.47
ADORA1 P30542 4/20 0.47
ADORA2B P29275 2/20 0.47
NT5E P21589 9/20 0.46
PDE2A O00408 1/20 0.46
ADRA1A P35348 1/20 0.46
PDE4D Q08499 1/20 0.46
PDE3A Q14432 1/20 0.46
CD99 P14209 1/20 0.46

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
SCHEMBL7206694 0.95 ADORA3 (0.54) ADORA3ALDH1A1LMNATP53MAPT
SCHEMBL7208800 0.90 ADORA3 (0.49) ADORA3ALDH1A1LMNATP53MAPT
Acetic Acid SCHEMBL7206675 0.88 ADORA3 (0.59) ADORA3CA1CA2CA4CA9
SCHEMBL7208805 0.85 ADORA3 (0.51) ADORA3ALDH1A1LMNATP53MAPT
Acetic Acid SCHEMBL7208795 0.77 ADORA3 (0.57) ADORA3CA1CA2CA4CA9
SCHEMBL7205240 0.76 ADORA3 (0.48) ADORA3LMNATP53CA1CA2
SCHEMBL19837866 0.76 ALDH1A1 (0.66) ADORA3ALDH1A1LMNATP53MAPT
SCHEMBL10026390 0.75 ALDH1A1 (0.59) ADORA3ALDH1A1LMNATP53MAPT
SCHEMBL19837861 0.75 ALDH1A1 (0.64) ADORA3ALDH1A1LMNATP53MAPT
SCHEMBL19837845 0.73 ALDH1A1 (0.57) ADORA3ALDH1A1LMNATP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610665-B1 Treatment of inflammatory diseases, asthma or chronic obstructive pulmonary disease SMITHKLINE BEECHAM CORPORATION 2003-08-26 US disclosed
EP-1056759-B1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-09-04 EP disclosed
EP-1056759-A1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-12-06 EP disclosed
WO-1999041267-A1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-08-19 WO disclosed