SCHEMBL5500343

SCHEMBL5500343

C#CC[C@]1(n2cc(N)c(N)nc2=O)C[C@H](O)[C@@H](CO)O1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 3/20 0.33
ADRB1 P08588 1/20 0.33
PDE4D Q08499 1/20 0.30
PDE3A Q14432 1/20 0.30
SLC29A1 Q99808 1/20 0.30

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
SCHEMBL28114849 0.89 DNMT1 (0.32) DNMT1ADRB1
SCHEMBL28805006 0.83 PDE3A (0.43) DNMT1ADRB1PDE4DPDE3ASLC29A1
SCHEMBL886859 0.81 POLG (0.41)
SCHEMBL7760372 0.80 TK1 (0.35)
SCHEMBL1941867 0.72 TK1 (0.41)
SCHEMBL5976411 0.71 PDE4D (0.35) DNMT1ADRB1PDE4DPDE3ASLC29A1
SCHEMBL9446590 0.71 PDE4D (0.35) DNMT1ADRB1PDE4DPDE3ASLC29A1
SCHEMBL7517670 0.71 PDE3A (0.43) DNMT1ADRB1PDE4DPDE3ASLC29A1
SCHEMBL4971926 0.70 PDE3A (0.46) DNMT1ADRB1PDE4DPDE3ASLC29A1
SCHEMBL15321521 0.70 TK1 (0.34)

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-1451318-A4 COMPILATIONS OF NUCLEIC ACIDS AND ARRAYS AND METHODS OF USING THEM PERKINELMER LAS INC (US) 2007-06-27 EP disclosed
EP-1451318-A1 COMPILATIONS OF NUCLEIC ACIDS AND ARRAYS AND METHODS OF USING THEM Spectral Genomics, Inc (US) 2004-09-01 EP disclosed
WO-2003091426-A1 COMPILATIONS OF NUCLEIC ACIDS AND ARRAYS AND METHODS OF USING THEM SPECTRAL GENOMICS, INC. (US) 2003-11-06 WO disclosed