SCHEMBL1663534

SCHEMBL1663534

CC(C)(C)OC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 20/20 1.00
ADORA2B P29275 4/20 1.00

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
SCHEMBL8106742 0.88 ADORA3 (1.00) ADORA3ADORA2B
SCHEMBL1666099 0.87 ADORA3 (1.00) ADORA3ADORA2B
SCHEMBL1663612 0.84 ADORA3 (1.00) ADORA3ADORA2B
SCHEMBL1663767 0.84 ADORA3 (1.00) ADORA3ADORA2B
SCHEMBL8111292 0.84 ADORA3 (1.00) ADORA3ADORA2B
SCHEMBL10714518 0.83 ADORA3 (0.74) ADORA3ADORA2B
SCHEMBL6379174 0.83 ADORA3 (0.91) ADORA3ADORA2B
SCHEMBL10713122 0.82 ADORA3 (0.76) ADORA3ADORA2B
SCHEMBL1662148 0.81 ADORA3 (1.00) ADORA3ADORA2B
SCHEMBL8097486 0.81 ADORA3 (0.86) ADORA3ADORA2B

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
EP-2311806-A2 Dihydropyridine-, pyridine-, benzopyranone- and triazoloquinazoline derivatives, their preparation and their use as adenosine receptor antagonists The United States of America, Represented by the Secretary, Department of Health and Human Services (US) 2011-04-20 EP disclosed
US-6066642-A FOR SELECTIVELY BLOCKING THE A3 ADENOSINE RECEPTOR OF A MAMMAL THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-05-23 US disclosed