SCHEMBL5492971

SCHEMBL5492971

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NT5E P21589 5/20 0.38
ADORA2A P29274 2/20 0.37
ADORA3 P0DMS8 6/20 0.37
ADORA1 P30542 5/20 0.37
ADORA2B P29275 4/20 0.37
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSP90B1 P14625 1/20 0.34
ACHE P22303 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
SLC29A1 Q99808 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 0.91 LMNA (0.43) NT5EADORA2AADORA3ADORA1ADORA2B
SCHEMBL5498228 0.90 LMNA (0.37) NT5EADORA2AADORA3ADORA1ADORA2B
SCHEMBL5735963 0.89 LMNA (0.35) NT5EADORA2AADORA3ADORA1ALDH1A1
SCHEMBL9404373 0.89 LMNA (0.35) NT5EADORA2AADORA3ADORA1ADORA2B
SCHEMBL8587151 0.87 ADORA3 (0.35) NT5EADORA2AADORA3ADORA1ADORA2B
SCHEMBL9791026 0.87 ADORA3 (0.35) ADORA2AADORA3ADORA1ADORA2BHSP90B1
SCHEMBL9404059 0.87 LMNA (0.34) ADORA2AADORA3ADORA1ALDH1A1LMNA
SCHEMBL6386486 0.86 PDE4A (0.37) ADORA2AADORA3ADORA1ADORA2BLMNA
SCHEMBL4834707 0.86 PDE4A (0.37) ADORA2AADORA3ADORA1ADORA2BLMNA
SCHEMBL1120685 0.82 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 10 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
WO-2002062123-A2 NOVEL COMPOUNDS AND METHODS FOR INHIBITING/TREATING HIV INFECTIONS AND AIDS RELATED SYMPTOMS YALE UNIVERSITY (US) 2002-08-15 WO disclosed
EP-0675896-A1 PURINE DERIVATIVES NOVO NORDISK A/S (DK) 1995-10-11 EP disclosed
EP-0607367-A1 NOVEL ADENOSINE DERIVATIVES NOVO NORDISK A/S (DK) 1994-07-27 EP disclosed
WO-1994014832-A1 PURINE DERIVATIVES NOVO NORDISK A/S (DK) 1994-07-07 WO disclosed
EP-0603348-A1 PURINE DERIVATIVES NOVO NORDISK A/S (DK) 1994-06-29 EP disclosed
WO-1993023418-A1 PURINE DERIVATIVES NOVO NORDISK A/S (DK) 1993-11-25 WO disclosed
WO-1993023417-A1 NOVEL ADENOSINE DERIVATIVES NOVO NORDISK A/S (DK) 1993-11-25 WO disclosed