SCHEMBL10587495

SCHEMBL10587495

Nc1nc(NCCc2ccc(O)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)C(O)C1O

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.81
ADORA2B P29275 2/20 0.81
PGK1 P00558 2/20 0.77
PGK2 P07205 2/20 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
SCHEMBL10587483 1.00 ADORA2A (0.81) ADORA2AADORA2BPGK1PGK2
SCHEMBL10588074 0.94 ADORA2A (0.82) ADORA2AADORA2B
SCHEMBL8373469 0.92 ADORA2A (0.82) ADORA2AADORA2BPGK1PGK2
SCHEMBL10587027 0.92 ADORA2A (0.82) ADORA2AADORA2BPGK1PGK2
SCHEMBL10588368 0.90 ADORA2A (1.00) ADORA2AADORA2B
SCHEMBL9762938 0.90 ADORA2A (0.84) ADORA2AADORA2BPGK1PGK2
SCHEMBL10585823 0.90 ADORA2A (0.76) ADORA2AADORA2B
SCHEMBL10585805 0.90 ADORA2A (0.76) ADORA2AADORA2B
SCHEMBL9762920 0.90 ADORA2A (0.84) ADORA2AADORA2BPGK1PGK2
SCHEMBL9762726 0.90 ADORA2A (0.87) ADORA2AADORA2B

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-0323807-A2 Certain 2-substituted adenosine derivatives CIBA-GEIGY AG (CH) 1989-07-12 EP disclosed