SCHEMBL6574486

SCHEMBL6574486

CC(C)c1noc([C@H]2O[C@@H](n3cnc4c(NCC5CC5)ncnc43)[C@H](O)[C@@H]2O)n1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.60
ADORA1 P30542 6/20 0.60
ADORA2A P29274 5/20 0.60
ADORA2B P29275 4/20 0.60

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
SCHEMBL6573819 0.89 ADORA3 (0.63) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6576944 0.89 ADORA3 (0.51) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6576787 0.87 ADORA3 (0.58) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6574553 0.86 ADORA3 (0.60) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6576783 0.83 SLC29A1 (0.45) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6576779 0.83 SLC29A1 (0.45) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6802786 0.83 SLC29A1 (0.45) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6575164 0.81 ADORA1 (0.62) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6576701 0.80 ADORA1 (0.53) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6576697 0.80 ADORA1 (0.53) ADORA3ADORA1ADORA2AADORA2B

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-1090019-B1 ADENOSINE DERIVATIVES GLAXO GROUP LTD (GB) 2004-09-29 EP disclosed
EP-1447407-A1 Adenosine derivatives GLAXO GROUP LIMITED (GB) 2004-08-18 EP disclosed