SCHEMBL5763183

SCHEMBL5763183

CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(CNS(=O)(=O)c4ccc5ccccc5c4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.68
ADORA3 P0DMS8 5/20 0.68
ADORA2B P29275 5/20 0.68
ADORA1 P30542 5/20 0.68

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
SCHEMBL5763873 0.94 ADORA2A (0.74) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5761919 0.94 ADORA2A (0.74) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5761924 0.94 ADORA2A (0.74) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5761694 0.93 ADORA2A (0.70) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5763305 0.89 ADORA2A (0.75) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5761612 0.89 ADORA2A (0.75) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5763303 0.89 ADORA2A (0.75) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5761889 0.88 ADORA2A (0.68) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5764746 0.88 ADORA2A (0.73) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5764752 0.88 ADORA2A (0.73) ADORA2AADORA3ADORA2BADORA1

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
EP-1220862-B1 PURINE DERIVATIVES PFIZER LTD (GB) 2006-03-22 EP claimed
US-6448236-B1 FUNCTIONAL AGONISTS OF THE HUMAN ADENOSINE A2A RECEPTOR AND MAY BE USED AS, FOR EXAMPLE, ANTI-INFLAMMATORY AGENTS IN THE TREATMENT OF REPIRATORY DISEASES PFIZER INC 2002-09-10 US claimed
EP-1220862-B1 PURINE DERIVATIVES PFIZER LTD (GB) 2006-03-22 EP disclosed
US-6448236-B1 FUNCTIONAL AGONISTS OF THE HUMAN ADENOSINE A2A RECEPTOR AND MAY BE USED AS, FOR EXAMPLE, ANTI-INFLAMMATORY AGENTS IN THE TREATMENT OF REPIRATORY DISEASES PFIZER INC 2002-09-10 US disclosed