SCHEMBL6584541

SCHEMBL6584541

CCCNc1nc(-c2n[nH]cc2Cc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 11/20 0.64
PGK1 P00558 3/20 0.58
PGK2 P07205 3/20 0.58
ADORA1 P30542 8/20 0.55
ADORA2A P29274 5/20 0.55
NFKB1 P19838 1/20 0.53
THPO P40225 1/20 0.53
TSHR P16473 1/20 0.53
TP53 P04637 1/20 0.53
SLC29A1 Q99808 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ADORA2B P29275 1/20 0.52

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
SCHEMBL6582374 0.92 ADORA3 (0.63) ADORA3PGK1PGK2ADORA1ADORA2A
SCHEMBL6270221 0.86 ADORA3 (0.57) ADORA3PGK1PGK2ADORA1ADORA2A
SCHEMBL5380408 0.82 ADORA3 (0.65) ADORA3PGK1PGK2ADORA1ADORA2A
SCHEMBL5385714 0.82 ADORA3 (0.54) ADORA3PGK1PGK2ADORA1ADORA2A
SCHEMBL5032145 0.81 ADORA3 (0.58) ADORA3PGK1PGK2ADORA1ADORA2A
SCHEMBL5038188 0.80 ADORA3 (0.59) ADORA3PGK1PGK2ADORA1ADORA2A
SCHEMBL5034054 0.80 ADORA3 (0.59) ADORA3PGK1PGK2ADORA1ADORA2A
SCHEMBL5035415 0.80 ADORA3 (0.59) ADORA3PGK1PGK2ADORA1ADORA2A
SCHEMBL5397146 0.79 ADORA3 (0.58) ADORA3PGK1PGK2ADORA1ADORA2A
SCHEMBL5040344 0.79 ADORA3 (0.59) ADORA3PGK1PGK2ADORA1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414837-A1 ADENOSINE A3 RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2004-05-06 EP claimed
WO-2003014137-A1 ADENOSINE A3 RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2003-02-20 WO claimed