Epirubicin

Epirubicin

SCHEMBL1030848

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1

nearest known ligand 0.95

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TOP2A

The experimentally established mechanism targets of Epirubicin. 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
TOP2A known ✓ P11388 5/20 0.95
MEN1 O00255 10/20 0.95
THRB P10828 10/20 0.95
KMT2A Q03164 10/20 0.95
BLM P54132 9/20 0.95
RECQL P46063 8/20 0.95
SMN1; SMN2 Q16637 7/20 0.95
MAPT P10636 7/20 0.95
HIF1A Q16665 6/20 0.95
TDP1 Q9NUW8 6/20 0.95
BRCA1 P38398 6/20 0.95
MAPK1 P28482 5/20 0.95
HTT P42858 5/20 0.95
CHRM1 P11229 4/20 0.95
KDM4E B2RXH2 4/20 0.95
ALDH1A1 P00352 4/20 0.95
STAT6 P42226 4/20 0.95
TBXA2R P21731 3/20 0.95
ABCB1 P08183 3/20 0.95
NR3C1 P04150 3/20 0.95

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
Epirubicin SCHEMBL18263941 1.00 MEN1 (0.95) MEN1THRBKMT2ABLMRECQL
Doxorubicin SCHEMBL147967 1.00 MEN1 (0.95) MEN1THRBKMT2ABLMRECQL
Doxorubicin SCHEMBL28086230 0.99 MEN1 (0.95) MEN1THRBKMT2ABLMRECQL
Doxorubicin SCHEMBL23753547 0.99 MEN1 (0.95) MEN1THRBKMT2ABLMRECQL
Doxorubicin SCHEMBL4019285 0.99 MEN1 (0.95) MEN1THRBKMT2ABLMRECQL
Doxorubicin SCHEMBL28183637 0.99 MEN1 (0.92) MEN1THRBKMT2ABLMRECQL
Doxorubicin SCHEMBL13858183 0.99 MEN1 (0.92) MEN1THRBKMT2ABLMRECQL
Epirubicin SCHEMBL94408 0.99 MEN1 (0.92) MEN1THRBKMT2ABLMRECQL
Epirubicin SCHEMBL8183120 0.98 MEN1 (0.92) MEN1THRBKMT2ABLMRECQL
Epirubicin SCHEMBL21184881 0.97 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997032589-A1 COMBINATIONS FOR TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 1997-09-12 WO claimed
WO-1997032604-A1 ANTIPROLIFERATIVE COMBINATIONS, CONTAINING RAF-TARGETED OLIGONUCLEOTIDES AND CHEMOTHERAPEUTIC COMPOUNDS NOVARTIS AG (CH) 1997-09-12 WO claimed
CN-106478651-B Substituted heteroaryl compound and combinations thereof and purposes 广东东阳光药业有限公司 2019-07-09 CN disclosed
CN-105367555-B Substituted heteroaryl compound and combinations thereof and purposes 广东东阳光药业有限公司 2019-06-25 CN disclosed
CN-105461694-B Substituted heteroaryl compound and combinations thereof and purposes 广东东阳光药业有限公司 2019-05-24 CN disclosed
CN-106478607-B Substituted heteroaryl compound and combinations thereof and purposes 广东东阳光药业有限公司 2019-05-24 CN disclosed
CN-109776522-A Substituted heteroaryl compound and combinations thereof and purposes 广东东阳光药业有限公司 2019-05-21 CN disclosed
CN-105777756-B Heteroaryl compound and its application in drug 广东东阳光药业有限公司 2019-03-01 CN disclosed
CN-104974162-B Bicyclic pyrazolone compounds and its application method and purposes 广东东阳光药业有限公司 2018-09-14 CN disclosed
CN-104926794-B Substituted heteroaryl compound and combinations thereof and purposes 广东东阳光药业有限公司 2017-12-05 CN disclosed
CN-104926795-B Substituted heteroaryl compound and combinations thereof and purposes 广东东阳光药业有限公司 2017-11-10 CN disclosed
CN-106432246-A Heteroaromatic compound and application thereof to drug 广东东阳光药业有限公司 2017-02-22 CN disclosed
CN-105777756-A Heteroaryl compound and application thereof in medicines 广东东阳光药业有限公司 2016-07-20 CN disclosed
US-20140274927-A1 TNF-Related Biomarkers For Assessing Cancer Cell Response To Treatment With Taxane And/Or Anthracycline Drugs PARISSENTI AMADEO MARK (CA) 2014-09-18 US disclosed
CN-103002895-A Method for treating hematologic cancers NIIKI PHARMA INC 2013-03-27 CN disclosed
EP-2274010-A1 THERAPEUTIC COMBINATIONS OF ANTI-IGF-1R ANTIBODIES AND OTHER COMPOUNDS Biogen Idec MA Inc. (US) 2011-01-19 EP disclosed
WO-2009126304-A1 THERAPEUTIC COMBINATIONS OF ANTI-IGF-1R ANTIBODIES AND OTHER COMPOUNDS BIOGEN IDEC MA INC. (US) 2009-10-15 WO disclosed
EP-0770091-B1 COMPOUNDS FOR REVERSING DRUG RESISTANCE SARKADI BALAZS (HU) 2000-03-01 EP disclosed
EP-0770091-A1 COMPOUNDS FOR REVERSING DRUG RESISTANCE Sarkadi, Balazs (HU) 1997-05-02 EP disclosed
WO-1995031474-A1 COMPOUNDS FOR REVERSING DRUG RESISTANCE SARKADI BALAZS (HU) 1995-11-23 WO disclosed