SCHEMBL6574576

SCHEMBL6574576

CNS(=O)(=O)CCNc1ncnc2c1ncn2[C@@H]1O[C@H](c2nnc(C(C)(C)C)o2)[C@@H](O)[C@H]1O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.47
ADORA1 P30542 5/20 0.47
ADORA2A P29274 4/20 0.46
ADORA2B P29275 3/20 0.46
SLC29A1 Q99808 1/20 0.46
NFKB1 P19838 1/20 0.44
THPO P40225 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL6574580 1.00 ADORA3 (0.47) ADORA3ADORA1ADORA2AADORA2BSLC29A1
SCHEMBL6575222 0.92 ADORA1 (0.46) ADORA3ADORA1ADORA2AADORA2BSLC29A1
SCHEMBL6575215 0.92 ADORA1 (0.46) ADORA3ADORA1ADORA2AADORA2BSLC29A1
SCHEMBL6572835 0.91 ADORA3 (0.48) ADORA3ADORA1ADORA2AADORA2BSLC29A1
SCHEMBL6574589 0.90 ADORA3 (0.47) ADORA3ADORA1ADORA2AADORA2BSLC29A1
SCHEMBL6574592 0.90 ADORA3 (0.47) ADORA3ADORA1ADORA2AADORA2BSLC29A1
SCHEMBL6572980 0.88 SLC29A1 (0.51) ADORA3ADORA1ADORA2AADORA2BSLC29A1
SCHEMBL6575179 0.87 ADORA3 (0.42) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6575172 0.87 ADORA3 (0.42) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6574563 0.85 ADORA3 (0.47) 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 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