SCHEMBL7208372

SCHEMBL7208372

Cc1noc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(Cl)nc43)[C@@H]3OC(C)(C)O[C@@H]32)n1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.49
ADORA2A P29274 7/20 0.49
ADORA1 P30542 6/20 0.49
ADORA2B P29275 4/20 0.43
NT5E P21589 1/20 0.41

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
SCHEMBL7202879 0.91 ADORA2A (0.48) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL7201958 0.90 ADORA2A (0.47) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL7209416 0.86 ADORA3 (0.55) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL7103592 0.85 ADORA3 (0.48) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL7103589 0.85 ADORA3 (0.48) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL7104888 0.85 ADORA2A (0.48) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL7104891 0.85 ADORA2A (0.48) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL7104759 0.85 ADORA3 (0.48) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL7206711 0.84 ADORA1 (0.46) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL7106915 0.84 ADORA2A (0.48) ADORA3ADORA2AADORA1ADORA2BNT5E

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
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