Cytarabine

Cytarabine

SCHEMBL7053790

Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1.Nc1nc2nc[nH]c2c(=S)[nH]1

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

POLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PRIM1PRIM2

The experimentally established mechanism targets of Cytarabine. 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
LMNA P02545 3/20 0.65
MTOR P42345 2/20 0.65
THRB P10828 1/20 0.65
MDM2 Q00987 1/20 0.65
NCOA1 Q15788 1/20 0.65
NCOA3 Q9Y6Q9 1/20 0.65
ALDH1A1 P00352 2/20 0.47
GMNN O75496 1/20 0.47
TP53 P04637 1/20 0.47
NFKB1 P19838 1/20 0.47
DNMT1 P26358 1/20 0.47
THPO P40225 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
BLM P54132 1/20 0.47
HBB P68871 1/20 0.47
PMP22 Q01453 1/20 0.47
P2RY2 P41231 1/20 0.45
MAPT P10636 1/20 0.44
CDA P32320 1/20 0.44

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
Cytidine SCHEMBL3129099 0.91 LMNA (0.67) LMNAMTORTHRBMDM2NCOA1
Uridine SCHEMBL22129341 0.88 SLC28A1 (0.61) LMNAMTORTHRBMDM2NCOA1
Cytidine SCHEMBL16970937 0.85 LMNA (0.59) LMNAMTORTHRBMDM2NCOA1
Gemcitabine SCHEMBL18204492 0.84 PDE3A (0.67) LMNAMTORTHRBMDM2NCOA1
Cytarabine SCHEMBL5370819 0.84 LMNA (0.70) LMNAMTORTHRBMDM2NCOA1
Cytidine SCHEMBL3824955 0.83 LMNA (0.69) LMNAMTORTHRBMDM2NCOA1
Cytarabine SCHEMBL23066241 0.81 LMNA (1.00) LMNAMTORTHRBMDM2NCOA1
Cytarabine SCHEMBL14644972 0.81 LMNA (1.00) LMNAMTORTHRBMDM2NCOA1
Cytarabine SCHEMBL329878 0.81 LMNA (1.00) LMNAMTORTHRBMDM2NCOA1
Cytarabine SCHEMBL14853684 0.81 LMNA (1.00) LMNAMTORTHRBMDM2NCOA1

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-20030040097-A1 Serpin polynucleotides, polypeptides, and antibodies HUMAN GENOME SCIENCES, INC. (US) 2003-02-27 US disclosed