SCHEMBL6574649

SCHEMBL6574649

O[C@@H]1[C@H](O)[C@@H](c2nnc[nH]2)O[C@H]1n1cnc2c(Nc3ccc(Cl)cc3F)ncnc21

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.70
ADORA1 P30542 10/20 0.70
ADORA2A P29274 9/20 0.70
ADORA2B P29275 5/20 0.70
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43
PMP22 Q01453 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL6906932 0.84 ADORA3 (0.65) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6906923 0.84 ADORA3 (0.65) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6906926 0.84 ADORA3 (0.65) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6574632 0.84 ADORA3 (0.65) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6572751 0.82 ADORA3 (0.71) ADORA3ADORA1ADORA2AADORA2BPRMT5
SCHEMBL6572766 0.82 ADORA3 (0.66) ADORA3ADORA1ADORA2AADORA2BPRMT5
SCHEMBL6575147 0.81 ADORA3 (0.67) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6573000 0.81 ADORA3 (0.67) ADORA3ADORA1ADORA2AADORA2BPRMT5
SCHEMBL6664819 0.81 ADORA3 (0.86) ADORA3ADORA1ADORA2AADORA2BALDH1A1
SCHEMBL6661428 0.81 ADORA3 (0.86) ADORA3ADORA1ADORA2AADORA2BALDH1A1

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