Decitabine

Decitabine

SCHEMBL168918

Nc1nc2nc[nH]c2c(=S)[nH]1.Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

DNMT1DNMT3A

The experimentally established mechanism targets of Decitabine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 known ✓ P26358 5/20 0.67
ADRB1 P08588 1/20 0.67
LMNA P02545 4/20 0.44
TP53 P04637 2/20 0.44
HTT P42858 2/20 0.44
GMNN O75496 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NFKB1 P19838 1/20 0.44
THPO P40225 1/20 0.44
MTOR P42345 1/20 0.44
RAB9A P51151 1/20 0.44
BLM P54132 1/20 0.44
HBB P68871 1/20 0.44
PMP22 Q01453 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
PNP P00491 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE3A Q14432 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
POLB P06746 1/20 0.39

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
Decitabine SCHEMBL6465639 0.90 DNMT1 (0.55) DNMT1ADRB1LMNATP53HTT
Decitabine SCHEMBL2476656 0.84 DNMT1 (0.72) DNMT1ADRB1LMNATP53HTT
Broxuridine SCHEMBL27766118 0.82 TK1 (0.49) LMNABLMPMP22SMN1; SMN2TK1
Decitabine SCHEMBL172264 0.82 DNMT1 (1.00) DNMT1ADRB1LMNATP53HTT
Decitabine SCHEMBL20651628 0.82 DNMT1 (1.00) DNMT1ADRB1LMNATP53HTT
Decitabine SCHEMBL4006 0.82 DNMT1 (1.00) DNMT1ADRB1LMNATP53HTT
Decitabine SCHEMBL661233 0.82 DNMT1 (1.00) DNMT1ADRB1LMNATP53HTT
Decitabine SCHEMBL20769771 0.82 DNMT1 (1.00) DNMT1ADRB1LMNATP53HTT
Decitabine SCHEMBL117721 0.82 DNMT1 (1.00) DNMT1ADRB1LMNATP53HTT
Decitabine SCHEMBL12800474 0.82 DNMT1 (1.00) DNMT1ADRB1LMNATP53HTT

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 105 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3672952-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS Merck Patent GmbH (DE) 2020-07-01 EP disclosed
EP-3672951-A1 QUINOXALINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS Merck Patent GmbH (DE) 2020-07-01 EP disclosed
EP-3668516-A1 STABLE LYOPHILISATES COMPRISING 5,10-METHYLENE-(6R)-TETRAHYDROFOLIC ACID AND A DICARBOXYLIC ACID Merck Patent GmbH (DE) 2020-06-24 EP disclosed
EP-3661941-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS Merck Patent GmbH (DE) 2020-06-10 EP disclosed
EP-3638320-A2 IGF-1R MONOCLONAL ANTIBODIES AND USES THEREOF Fusion Pharmaceuticals Inc. (CA) 2020-04-22 EP disclosed
EP-3619191-A1 PHARMACOKINETIC ENHANCEMENTS OF BIFUNCTIONAL CHELATES AND USES THEREOF Fusion Pharmaceuticals Inc. (CA) 2020-03-11 EP disclosed
WO-2019038215-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2019-02-28 WO disclosed
WO-2019038214-A1 QUINOXALINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2019-02-28 WO disclosed
WO-2019034673-A1 STABLE LYOPHILISATES COMPRISING 5,10-METHYLENE-(6R)-TETRAHYDROFOLIC ACID AND A DICARBOXYLIC ACID MERCK PATENT GMBH (DE) 2019-02-21 WO disclosed
WO-2019025099-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2019-02-07 WO disclosed
EP-1651211-A4 COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX INC (US) 2006-11-22 EP disclosed
WO-2006122007-A1 COMPOSITIONS AND METHODS FOR TREATMENT FOR NEOPLASMS COMBINATORX, INCORPORATED (US) 2006-11-16 WO disclosed
WO-2006113718-A2 COMPOSITIONS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2006-10-26 WO disclosed
EP-1651211-A2 COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS Combinatorx, Incorporated (US) 2006-05-03 EP disclosed
EP-1545544-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS Combinatorx, Incorporated (US) 2005-06-29 EP disclosed
WO-2005011572-A2 COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2005-02-10 WO disclosed
WO-2004073631-A2 COMBINATION THERAPY FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2004-09-02 WO disclosed
WO-2004006842-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2004-01-22 WO disclosed
WO-2004007676-A2 COMBINATION THERAPY FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2004-01-22 WO disclosed
WO-2004006906-A2 METHODS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2004-01-22 WO disclosed