SCHEMBL4384601

SCHEMBL4384601

CONc1nc(C#Cc2ccc(F)cc2)nc2c1ncn2[C@@]1(N(C)C=O)OC[C@@H](O)[C@@H]1O

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 20/20 0.51
▸ ADORA2A P29274 17/20 0.51
▸ ADORA1 P30542 17/20 0.51

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
SCHEMBL4387917 0.92 ADORA3 (0.54) ADORA3ADORA2AADORA1
SCHEMBL4384606 0.80 ADORA3 (0.52) ADORA3ADORA2AADORA1
SCHEMBL4387920 0.79 ADORA3 (0.51) ADORA3ADORA2AADORA1
SCHEMBL6384536 0.74 ADORA3 (0.57) ADORA3ADORA2AADORA1
SCHEMBL4381150 0.67 ADORA3 (1.00) ADORA3ADORA2AADORA1
SCHEMBL4381140 0.67 ADORA3 (0.71) ADORA3ADORA2AADORA1
SCHEMBL4385169 0.67 ADORA3 (0.74) ADORA3ADORA2AADORA1
SCHEMBL4382782 0.67 ADORA3 (0.72) ADORA3ADORA2AADORA1
SCHEMBL4394608 0.66 ADORA3 (0.71) ADORA3ADORA2AADORA1
SCHEMBL24178186 0.65 ADORA3 (0.62) ADORA3ADORA2AADORA1

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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