SCHEMBL6576894

SCHEMBL6576894

O[C@@H]1[C@H](O)[C@@H](c2nc(-c3ccccc3)no2)O[C@H]1n1cnc2c(NC3CCOCC3)ncnc21

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 8/20 0.59
ADORA2A P29274 7/20 0.59
ADORA3 P0DMS8 6/20 0.59
ADORA2B P29275 5/20 0.53
SLC29A1 Q99808 2/20 0.53
SLC28A1 O00337 1/20 0.53
TSHR P16473 2/20 0.50
PMP22 Q01453 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TP53 P04637 1/20 0.50
NFKB1 P19838 1/20 0.50
HIF1A Q16665 1/20 0.50

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
SCHEMBL6572451 0.86 ADORA2A (0.62) ADORA1ADORA2AADORA3ADORA2BSLC29A1
SCHEMBL6576915 0.86 ADORA2A (0.61) ADORA1ADORA2AADORA3ADORA2BSLC29A1
SCHEMBL6576862 0.85 ADORA2A (0.55) ADORA1ADORA2AADORA3ADORA2BSLC29A1
SCHEMBL6575185 0.84 ADORA1 (0.59) ADORA1ADORA2AADORA3ADORA2BSLC29A1
SCHEMBL6574608 0.84 ADORA3 (0.59) ADORA1ADORA2AADORA3ADORA2BSLC29A1
SCHEMBL6572906 0.81 ADORA3 (0.60) ADORA1ADORA2AADORA3ADORA2BSLC29A1
SCHEMBL6574959 0.79 ADORA3 (0.62) ADORA1ADORA2AADORA3ADORA2BSLC29A1
SCHEMBL6574707 0.79 ADORA2A (0.64) ADORA1ADORA2AADORA3ADORA2BSLC29A1
SCHEMBL6572956 0.79 ADORA3 (0.58) ADORA1ADORA2AADORA3ADORA2BSLC29A1
SCHEMBL6576787 0.79 ADORA3 (0.58) ADORA1ADORA2AADORA3ADORA2BSLC29A1

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