SCHEMBL5507489

SCHEMBL5507489

C#C[C@H]1O[C@@H](n2cnc3c(NC4COCC(F)C4)ncnc32)[C@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.41
ADORA1 P30542 8/20 0.41
ADORA2A P29274 4/20 0.41
ADORA2B P29275 3/20 0.41
SLC28A1 O00337 1/20 0.41
SLC29A1 Q99808 1/20 0.41
PI4KA P42356 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
AMD1 P17707 1/20 0.38

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
SCHEMBL5507495 1.00 ADORA3 (0.41) ADORA3ADORA1ADORA2AADORA2BSLC28A1
SCHEMBL5504146 0.90 PI4KA (0.41) ADORA3ADORA1ADORA2AADORA2BSLC29A1
SCHEMBL5504141 0.90 PI4KA (0.41) ADORA3ADORA1ADORA2AADORA2BSLC29A1
SCHEMBL5505648 0.87 ADORA1 (0.54) ADORA3ADORA1ADORA2AADORA2BSLC28A1
SCHEMBL5505653 0.87 ADORA1 (0.54) ADORA3ADORA1ADORA2AADORA2BSLC28A1
SCHEMBL5503453 0.86 ADORA1 (0.49) ADORA3ADORA1ADORA2AADORA2BSLC28A1
SCHEMBL5503445 0.86 ADORA1 (0.49) ADORA3ADORA1ADORA2AADORA2BSLC28A1
SCHEMBL5504161 0.85 TSHR (0.52) ADORA3ADORA1ADORA2AADORA2BSLC29A1
SCHEMBL5509613 0.85 ADORA3 (0.49) ADORA3ADORA1ADORA2AADORA2BSLC29A1
SCHEMBL5509065 0.85 TSHR (0.52) ADORA3ADORA1ADORA2AADORA2BSLC29A1

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-1537133-B1 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS CV THERAPEUTICS INC (US) 2007-07-25 EP disclosed