SCHEMBL6996561

SCHEMBL6996561

CCCCc1nc2nc[nH]c2c2nc(-c3ccc(-c4ccccc4)cc3)nn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 20/20 1.00
ADORA2A P29274 16/20 0.96
ADORA2B P29275 5/20 0.77
ADORA1 P30542 5/20 0.77

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
SCHEMBL6998564 0.94 ADORA3 (1.00) ADORA3ADORA2AADORA2BADORA1
SCHEMBL3059034 0.89 ADORA3 (1.00) ADORA3ADORA2AADORA2BADORA1
SCHEMBL6626200 0.89 ADORA3 (0.79) ADORA3ADORA2AADORA2BADORA1
SCHEMBL6995607 0.87 ADORA3 (1.00) ADORA3ADORA2AADORA2BADORA1
SCHEMBL7001225 0.87 ADORA3 (1.00) ADORA3ADORA2AADORA2BADORA1
SCHEMBL6999453 0.87 ADORA3 (1.00) ADORA3ADORA2AADORA2BADORA1
SCHEMBL6627522 0.86 ADORA3 (1.00) ADORA3ADORA2AADORA2BADORA1
SCHEMBL3066530 0.86 ADORA3 (1.00) ADORA3ADORA2AADORA2BADORA1
SCHEMBL7001061 0.86 ADORA3 (1.00) ADORA3ADORA2AADORA2BADORA1
SCHEMBL6630588 0.86 ADORA3 (0.76) ADORA3ADORA2AADORA2BADORA1

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
EP-1069126-B1 TRIAZOLOPURINE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE DERIVATIVES, ADENOSINE A3 RECEPTOR COMPATIBILIZING AGENT, AND ASTHMATIC REMEDY OTSUKA PHARMA CO LTD (JP) 2003-05-28 EP claimed
US-6288070-B1 Triazolopurine derivatives, medicinal composition containing the derivatives, adenosine A3 receptor compatibilizing agent, and asthmatic remedy OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-09-11 US claimed
EP-1069126-A1 TRIAZOLOPURINE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE DERIVATIVES, ADENOSINE A3 RECEPTOR COMPATIBILIZING AGENT, AND ASTHMATIC REMEDY OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-01-17 EP claimed
EP-1069126-B1 TRIAZOLOPURINE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE DERIVATIVES, ADENOSINE A3 RECEPTOR COMPATIBILIZING AGENT, AND ASTHMATIC REMEDY OTSUKA PHARMA CO LTD (JP) 2003-05-28 EP disclosed
US-6288070-B1 Triazolopurine derivatives, medicinal composition containing the derivatives, adenosine A3 receptor compatibilizing agent, and asthmatic remedy OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-09-11 US disclosed
EP-1069126-A1 TRIAZOLOPURINE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE DERIVATIVES, ADENOSINE A3 RECEPTOR COMPATIBILIZING AGENT, AND ASTHMATIC REMEDY OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-01-17 EP disclosed