SCHEMBL6574665

SCHEMBL6574665

O[C@@H]1[C@H](O)[C@@H](c2nnc(C3CCCC3)o2)O[C@H]1n1cnc2c(Nc3ccc(Cl)cc3F)ncnc21

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.64
ADORA1 P30542 10/20 0.64
ADORA2A P29274 9/20 0.64
ADORA2B P29275 5/20 0.64
PRMT5 O14744 2/20 0.44
WDR77 Q9BQA1 2/20 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
SCHEMBL6572766 0.97 ADORA3 (0.66) ADORA3ADORA1ADORA2AADORA2BPRMT5
SCHEMBL6572751 0.88 ADORA3 (0.71) ADORA3ADORA1ADORA2AADORA2BPRMT5
Gw493838 SCHEMBL29384676 0.86 ADORA3 (0.66) ADORA3ADORA1ADORA2AADORA2BPRMT5
Gw493838 SCHEMBL6935807 0.86 ADORA3 (0.66) ADORA3ADORA1ADORA2AADORA2BPRMT5
SCHEMBL6575135 0.86 ADORA3 (0.66) ADORA3ADORA1ADORA2AADORA2BPRMT5
Gw493838 SCHEMBL6250937 0.86 ADORA3 (0.66) ADORA3ADORA1ADORA2AADORA2BPRMT5
Gw493838 SCHEMBL6696560 0.86 ADORA3 (0.66) ADORA3ADORA1ADORA2AADORA2BPRMT5
Gw493838 SCHEMBL6225102 0.86 ADORA3 (0.66) ADORA3ADORA1ADORA2AADORA2BPRMT5
SCHEMBL6575138 0.84 ADORA3 (0.64) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6572809 0.81 ADORA3 (0.64) ADORA3ADORA1ADORA2AADORA2BPRMT5

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