SCHEMBL5498844

SCHEMBL5498844

CC(=O)C(O)[C@H]1O[C@@H](n2cnc3c(Cl)nc(OCCc4ccc(Cl)cc4)nc32)[C@@](O)(C(C)=O)[C@@]1(O)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.44
ADORA2B P29275 11/20 0.44
ADORA1 P30542 4/20 0.44
ADORA3 P0DMS8 3/20 0.36
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NT5E P21589 1/20 0.33

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
SCHEMBL4948918 0.81 LMNA (0.43) ADORA2AADORA2BADORA1ADORA3ALDH1A1
SCHEMBL5498228 0.80 LMNA (0.37) ADORA2AADORA2BADORA1ADORA3ALDH1A1
SCHEMBL5492971 0.80 NT5E (0.38) ADORA2AADORA2BADORA1ADORA3ALDH1A1
SCHEMBL5735963 0.79 LMNA (0.35) ADORA2AADORA1ADORA3ALDH1A1LMNA
SCHEMBL9404059 0.78 LMNA (0.34) ADORA2AADORA1ADORA3ALDH1A1LMNA
SCHEMBL4834707 0.76 PDE4A (0.37) ADORA2AADORA2BADORA1ADORA3LMNA
SCHEMBL6386486 0.76 PDE4A (0.37) ADORA2AADORA2BADORA1ADORA3LMNA
SCHEMBL4833723 0.72 ADORA3 (0.37) ADORA2AADORA2BADORA1ADORA3LMNA
SCHEMBL5502159 0.70 ALDH1A1 (0.70) ADORA2AADORA2BADORA1ADORA3ALDH1A1
SCHEMBL1120685 0.70 HINT1 (0.43) ADORA3ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1446413-A4 SYNTHESIS OF 2-ARALKOXY ADENOSINES AND 2-ALKOXYADENOSINES KING PHARMACEUTICALS RES & DEV (US) 2007-10-17 EP disclosed
EP-1446413-A1 SYNTHESIS OF 2-ARALKOXY ADENOSINES AND 2-ALKOXYADENOSINES King Pharmaceuticals Research and Development Inc. (US) 2004-08-18 EP disclosed
WO-2003035662-A1 SYNTHESIS OF 2-ARALKOXY ADENOSINES AND 2-ALKOXYADENOSINES KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. (US) 2003-05-01 WO disclosed