Ibacitabine

Ibacitabine

SCHEMBL13812993

Nc1nc(=O)n(C2CC(O)[C@@H](CO)O2)cc1I

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 6/20 0.63
ADRB1 P08588 1/20 0.63
TK1 P04183 2/20 0.60
DNMT3B Q9UBC3 2/20 0.54
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PNP P00491 1/20 0.49
TP53 P04637 1/20 0.49
HTT P42858 1/20 0.49
PDE4D Q08499 1/20 0.49
PDE3A Q14432 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
FPR2 P25090 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
Ibacitabine SCHEMBL5981937 1.00 DNMT1 (0.63) DNMT1ADRB1TK1DNMT3BLMNA
Ibacitabine SCHEMBL21423094 1.00 DNMT1 (0.63) DNMT1ADRB1TK1DNMT3BLMNA
Ibacitabine SCHEMBL225403 1.00 DNMT1 (0.63) DNMT1ADRB1TK1DNMT3BLMNA
Ibacitabine SCHEMBL5981939 1.00 DNMT1 (0.63) DNMT1ADRB1TK1DNMT3BLMNA
Ibacitabine SCHEMBL887475 1.00 DNMT1 (0.63) DNMT1ADRB1TK1DNMT3BLMNA
Ibacitabine SCHEMBL225402 1.00 DNMT1 (0.63) DNMT1ADRB1TK1DNMT3BLMNA
Ibacitabine SCHEMBL244921 1.00 DNMT1 (0.63) DNMT1ADRB1TK1DNMT3BLMNA
SCHEMBL1635378 0.91 DNMT1 (0.52) DNMT1ADRB1TK1DNMT3BFPR2
SCHEMBL1635376 0.91 DNMT1 (0.52) DNMT1ADRB1TK1DNMT3BFPR2
Ibacitabine SCHEMBL9710365 0.91 DNMT1 (0.54) DNMT1ADRB1TK1DNMT3BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547513-B2 Mutants of deoxycytidine kinase having extended enzymatic activity INSTITUT PASTEUR (FR) 2009-06-16 US disclosed