SCHEMBL6576870

SCHEMBL6576870

Cc1noc([C@H]2O[C@@H](n3cnc4c(NCC(C)C)ncnc43)[C@H](O)[C@@H]2O)n1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.52
ADORA2A P29274 2/20 0.52
ADORA1 P30542 2/20 0.52
ADORA2B P29275 1/20 0.52
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
STAT6 P42226 1/20 0.48
ADK P55263 1/20 0.48
GMNN O75496 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48

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
SCHEMBL6576944 0.90 ADORA3 (0.51) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6576646 0.89 ADORA3 (0.50) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6573819 0.86 ADORA3 (0.63) ADORA3ADORA2AADORA1ADORA2BTSHR
SCHEMBL6572906 0.83 ADORA3 (0.60) ADORA3ADORA2AADORA1ADORA2BTSHR
SCHEMBL6575154 0.83 SLC29A1 (0.47) ADORA3ADORA2AADORA1ADORA2BTSHR
SCHEMBL6576807 0.83 ADORA2A (0.69) ADORA3ADORA2AADORA1ADORA2BTSHR
SCHEMBL6575163 0.83 SLC29A1 (0.47) ADORA3ADORA2AADORA1ADORA2BTSHR
SCHEMBL6574959 0.82 ADORA3 (0.62) ADORA3ADORA2AADORA1ADORA2BTSHR
SCHEMBL6573967 0.80 ADORA3 (0.52) ADORA3ADORA2AADORA1ADORA2BTSHR
SCHEMBL6572451 0.80 ADORA2A (0.62) ADORA3ADORA2AADORA1ADORA2BTSHR

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