Cytarabine

Cytarabine

SCHEMBL8980109

Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1.O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F.c1ncc2[nH]cnc2n1

nearest known ligand 0.51

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 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
THRB P10828 1/20 0.49
MTOR P42345 1/20 0.49
MDM2 Q00987 1/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
P2RY2 P41231 4/20 0.45
P2RY4 P51582 3/20 0.45
P2RY6 Q15077 2/20 0.45
ALOX12 P18054 1/20 0.41
ADRA1A P35348 1/20 0.41
TK1 P04183 1/20 0.40

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
Cytarabine SCHEMBL8144526 0.96 LMNA (0.47) LMNASMN1; SMN2THRBMTORMDM2
Cytidine SCHEMBL4468985 0.89 LMNA (0.65) LMNASMN1; SMN2THRBMTORMDM2
Floxuridine SCHEMBL407748 0.87 LMNA (0.68) LMNASMN1; SMN2ALOX12ADRA1ATK1
Cytidine SCHEMBL27461239 0.84 LMNA (0.69) LMNASMN1; SMN2THRBMTORMDM2
Doxribtimine SCHEMBL6518312 0.80 LMNA (0.62) LMNASMN1; SMN2THRBMTORMDM2
Doxribtimine SCHEMBL787714 0.80 LMNA (0.62) LMNASMN1; SMN2THRBMTORMDM2
Doxribtimine SCHEMBL28210016 0.78 TK1 (0.52) LMNASMN1; SMN2TK1
Deoxyuridine SCHEMBL28056346 0.77 DUT (0.47) LMNASMN1; SMN2ALOX12ADRA1ATK1
Cytidine SCHEMBL574822 0.77 LMNA (0.67) LMNATHRBMTORMDM2NCOA1
5-Fluorouridine SCHEMBL4390962 0.77 LMNA (0.83) LMNASMN1; SMN2P2RY6ALOX12ADRA1A

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-5514364-A Non-lethal methods for conditioning a recipient for bone marrow transplantation UNIVERSITY OF PITTSBURGH (US) 1996-05-07 US disclosed