SCHEMBL7203442

SCHEMBL7203442

CCc1noc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N(CO)CC(C)C)nc43)[C@H](O)[C@@H]2OC=O)n1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.45
ADORA3 P0DMS8 6/20 0.45
ADORA1 P30542 6/20 0.45
ADORA2B P29275 5/20 0.45

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
Formic Acid SCHEMBL7203435 0.92 ADORA2A (0.47) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7201966 0.92 ADORA2A (0.48) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7103259 0.86 ADORA2A (0.45) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7209494 0.85 ADORA2A (0.52) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7231858 0.84 ADORA2A (0.47) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7117083 0.84 ADORA2A (0.45) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7202932 0.82 ADORA2A (0.48) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7209488 0.82 ADORA2A (0.51) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7208768 0.81 ADORA2A (0.40) ADORA2AADORA3ADORA2B
SCHEMBL7203440 0.81 ADORA2A (0.45) 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
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