SCHEMBL7205240

SCHEMBL7205240

Cc1noc([C@H]2O[C@@H](n3cnc4c(N)nc(Cl)nc43)[C@@H]3OC(C)(C)O[C@@H]32)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.48
ADORA2A P29274 4/20 0.45
ADORA1 P30542 3/20 0.45
ADORA2B P29275 2/20 0.45
PI4KA P42356 1/20 0.44
PI4K2B Q8TCG2 1/20 0.44
PI4K2A Q9BTU6 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
PDE2A O00408 2/20 0.42
PDE4D Q08499 2/20 0.42
PDE3A Q14432 2/20 0.42
ADRA1A P35348 1/20 0.42
NT5E P21589 4/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA9 Q16790 1/20 0.40
RXFP1 Q9HBX9 2/20 0.40
PNP P00491 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL7209134 0.88 ADORA3 (0.47) ADORA3ADORA2AADORA1ADORA2BPI4KA
SCHEMBL7206711 0.83 ADORA1 (0.46) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL8100777 0.81 PI4KA (0.32) ADORA3PI4KAPI4K2BPI4K2API4KB
SCHEMBL4152287 0.81 ADORA3 (0.65) ADORA3ADORA2AADORA1ADORA2BPI4KA
SCHEMBL7208372 0.81 ADORA3 (0.49) ADORA3ADORA2AADORA1ADORA2BNT5E
Acetic Acid SCHEMBL7206675 0.79 ADORA3 (0.59) ADORA3ADORA2AADORA1ADORA2BPDE2A
SCHEMBL18512532 0.78 PI4KA (0.59) ADORA3ADORA2AADORA1ADORA2BPI4KA
SCHEMBL14075797 0.77 PI4KA (0.72) ADORA3ADORA2AADORA1PI4KAPI4K2B
SCHEMBL7202481 0.77 PI4KA (0.72) ADORA3ADORA2AADORA1PI4KAPI4K2B
SCHEMBL4148537 0.77 PI4KA (0.58) ADORA3ADORA2AADORA1ADORA2BPI4KA

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