SCHEMBL7203902

SCHEMBL7203902

Cc1noc([C@H]2O[C@@H](n3cnc4c(N)nc(NCCc5ccccc5)nc43)[C@H](O)[C@@H]2O)n1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.65
ADORA2B P29275 4/20 0.65
ADORA3 P0DMS8 3/20 0.65
ADORA1 P30542 3/20 0.65
ALOX15 P16050 2/20 0.56
HSD17B10 Q99714 2/20 0.56
TSHR P16473 1/20 0.56
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL8091540 1.00 ADORA2A (0.65) ADORA2AADORA2BADORA3ADORA1ALOX15
Trifluoroacetic Acid SCHEMBL7208868 0.94 ADORA2A (0.62) ADORA2AADORA2BADORA3ADORA1ALOX15
SCHEMBL7203877 0.90 ADORA2A (0.52) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7208875 0.88 ADORA2A (0.58) ADORA2AADORA2BADORA3ADORA1ALOX15
SCHEMBL7208873 0.87 ADORA2A (0.56) ADORA2AADORA2BADORA3ADORA1ALOX15
SCHEMBL7207888 0.86 ADORA2A (0.49) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7203736 0.84 ADORA2A (0.69) ADORA2AADORA2BADORA3ADORA1
Trifluoroacetic Acid SCHEMBL7210128 0.82 ADORA2A (0.49) ADORA2AADORA2BADORA3ADORA1ALOX15
SCHEMBL8373469 0.82 ADORA2A (0.82) ADORA2AADORA2BADORA3ADORA1
SCHEMBL10587027 0.82 ADORA2A (0.82) ADORA2AADORA2BADORA3ADORA1

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 6 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 claimed
EP-1056759-B1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-09-04 EP claimed
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