SCHEMBL6576944

SCHEMBL6576944

CC(C)CNc1ncnc2c1ncn2[C@@H]1O[C@H](c2nc(C(C)C)no2)[C@@H](O)[C@H]1O

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.51
ADORA2A P29274 2/20 0.51
ADORA2B P29275 2/20 0.51
ADORA1 P30542 2/20 0.51

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
SCHEMBL6576870 0.90 ADORA3 (0.52) ADORA3ADORA2AADORA2BADORA1
SCHEMBL6574486 0.89 ADORA3 (0.60) ADORA3ADORA2AADORA2BADORA1
SCHEMBL6576646 0.88 ADORA3 (0.50) ADORA3ADORA2AADORA2BADORA1
SCHEMBL6576787 0.86 ADORA3 (0.58) ADORA3ADORA2AADORA2BADORA1
SCHEMBL6802786 0.85 SLC29A1 (0.45) ADORA3ADORA2AADORA2BADORA1
SCHEMBL6576783 0.85 SLC29A1 (0.45) ADORA3ADORA2AADORA2BADORA1
SCHEMBL6576779 0.85 SLC29A1 (0.45) ADORA3ADORA2AADORA2BADORA1
SCHEMBL6572759 0.81 ADORA3 (0.54) ADORA3ADORA2AADORA2BADORA1
SCHEMBL6576827 0.81 ADORA3 (0.53) ADORA3ADORA2AADORA2BADORA1
SCHEMBL6572914 0.81 ADORA3 (0.48) ADORA3ADORA2AADORA2BADORA1

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