SCHEMBL6576874

SCHEMBL6576874

CCc1cc([C@H]2O[C@@H](n3cnc4c(NC5CCN(C(=O)O)C(CC)C5)nc(Cl)nc43)[C@H](O)[C@@H]2O)on1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 13/20 0.51
ADORA2A P29274 5/20 0.51
ADORA2B P29275 5/20 0.51
ADORA1 P30542 5/20 0.51
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL6576751 0.95 ADORA3 (0.51) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL6574494 0.91 ADORA3 (0.41) ADORA3ADORA2AADORA2BADORA1
SCHEMBL6573093 0.90 ADORA1 (0.48) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL6574690 0.85 ADORA1 (0.49) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL6575079 0.84 ADORA3 (0.54) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL6575072 0.84 ADORA3 (0.54) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL6575216 0.84 ADORA3 (0.59) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL6798263 0.80 ADORA2A (0.66) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL6576785 0.80 ADORA2A (0.66) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL6574581 0.80 ADORA3 (0.54) ADORA3ADORA2AADORA2BADORA1MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090019-B1 ADENOSINE DERIVATIVES GLAXO GROUP LTD (GB) 2004-09-29 EP claimed