SCHEMBL4384702

SCHEMBL4384702

CCONc1nc(C#Cc2ccccc2)nc2c1ncn2C1OC(CO)C(O)C1O

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 20/20 0.84
▸ ADORA2A P29274 18/20 0.84
▸ ADORA1 P30542 18/20 0.84
▸ ADORA2B P29275 1/20 0.79

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
SCHEMBL6395638 1.00 ADORA3 (0.84) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4384713 1.00 ADORA3 (0.84) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4382482 0.93 ADORA3 (0.81) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4382516 0.92 ADORA3 (0.84) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4387417 0.91 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL31061129 0.91 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4387697 0.89 ADORA3 (0.80) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL19464857 0.89 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4386132 0.88 ADORA3 (0.66) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4392810 0.86 ADORA3 (0.82) ADORA3ADORA2AADORA1ADORA2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537135-B1 ADENOSINE A3 RECEPTOR AGONISTS CV THERAPEUTICS INC (US) 2009-11-25 — — EP disclosed
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