Irinotecan

Irinotecan

SCHEMBL193504

CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC.COc1cc([C@@H]2c3cc4c(cc3C(O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)C3COC(=O)[C@@H]32)OCO4)cc(OC)c1O

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TOP1

The experimentally established mechanism targets of Irinotecan. 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
TOP1 known ✓ P11387 1/20 0.48
GAA P10253 6/20 0.59
CYP3A4 P08684 4/20 0.59
GLA P06280 2/20 0.59
SLC22A2 O15244 1/20 0.59
SLC22A1 O15245 1/20 0.59
SLC22A3 O75751 1/20 0.59
MMP1 P03956 1/20 0.59
CHRM4 P08173 1/20 0.59
ADRA2C P18825 1/20 0.59
ACHE P22303 1/20 0.59
SLC47A2 Q86VL8 1/20 0.59
SLC47A1 Q96FL8 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
LMNA P02545 2/20 0.59
HSD17B10 Q99714 2/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
HPGD P15428 1/20 0.59
NCOA3 Q9Y6Q9 3/20 0.59

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
Irinotecan SCHEMBL17102276 0.95 GAA (0.54) GAACYP3A4GLASLC22A2SLC22A1
Teniposide SCHEMBL4763786 0.91 GAA (0.49) GAACYP3A4GLASLC22A2SLC22A1
Irinotecan SCHEMBL20521877 0.85 GLA (0.70) GAACYP3A4GLASLC22A2SLC22A1
Etoposide SCHEMBL1276328 0.84 SMN1; SMN2 (0.57) GAACYP3A4GLASLC22A2SLC47A2
Etoposide SCHEMBL18921683 0.82 GAA (0.61) GAACYP3A4GLASMN1; SMN2LMNA
Etoposide SCHEMBL14931202 0.82 GAA (0.61) GAACYP3A4GLASMN1; SMN2LMNA
Teniposide SCHEMBL5324539 0.79 SMN1; SMN2 (0.58) GAACYP3A4GLASLC22A2SLC47A2
SCHEMBL20807092 0.79 GLA (0.55) GAACYP3A4GLASLC22A2SLC22A1
SCHEMBL20807126 0.78 GLA (0.55) GAACYP3A4GLASLC22A2SLC22A1
SCHEMBL18774809 0.78 GLA (0.55) GAACYP3A4GLASLC22A2SLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024082026-A1 METHODS FOR DETECTING AGGRESSIVE PROSTATE CANCER MINOMIC INTERNATIONAL LTD. (AU) 2024-04-25 WO disclosed
US-20230055103-A1 METHODS FOR THE DIAGNOSIS OF LUNG CANCER INSTITUCIÓ CATALANA DE RECERCA I ESTUDIS AVANÇATS (ES) 2023-02-23 US disclosed
EP-3941533-A1 METHODS FOR THE DIAGNOSIS OF LUNG CANCER Fundació Privada Institut d'Investigació Oncològica de Vall-Hebron (ES) 2022-01-26 EP disclosed
US-10987669-B2 Apparatus and method for detection of tumour cells and circulating tumour cells MEDCOM TECH, S.A. (ES) 2021-04-27 US disclosed
WO-2020188023-A1 METHODS FOR THE DIAGNOSIS OF LUNG CANCER FUNDACIÓ PRIVADA INSTITUT D'INVESTIGACIÓ ONCOLÒGICA DE VALL HEBRON (ES) 2020-09-24 WO disclosed
WO-2020136281-A1 METHODS FOR THE PROGNOSIS OF PROSTATE CANCER ASOCIACIÓN CENTRO DE INVESTIGACIÓN COOPERATIVA EN BIOCIENCIAS-CIC BIOGUNE (ES) 2020-07-02 WO disclosed
EP-3674421-A1 METHODS FOR THE PROGNOSIS OF PROSTATE CANCER Asociación Centro de Investigación Cooperativa en Biociencias - CIC bioGUNE (ES) 2020-07-01 EP disclosed
EP-3657173-A1 BIOMARKERS OF PROSTATE CANCER AGGRESSIVENESS Institut d'Investigació Sanitària Pere Virgili (ES) 2020-05-27 EP disclosed
US-20200055048-A1 OPTOFLUIDIC DEVICE AND METHOD FOR DETECTING CIRCULATING TUMOUR CELLS FUNDACIÓ EURECAT (ES) 2020-02-20 US disclosed
EP-3607299-A1 OPTOFLUIDIC DEVICE AND METHOD FOR DETECTING CIRCULATING TUMOUR CELLS Universitat Rovira i Virgili (ES) 2020-02-12 EP disclosed
WO-2008123867-A9 GENE EXPRESSION PROFILING FOR IDENTIFICATION, MONITORING, AND TREATMENT OF BREAST CANCER SOURCE PRECISION MEDICINE INC (US) 2009-02-05 WO disclosed
WO-2008143639-A2 GENE EXPRESSION PROFILING FOR IDENTIFICATION, MONITORING, AND TREATMENT OF CERVICAL CANCER SOURCE PRECISION MEDICINE, INC. (US) 2008-11-27 WO disclosed
WO-2008123867-A1 GENE EXPRESSION PROFILING FOR IDENTIFICATION, MONITORING, AND TREATMENT OF BREAST CANCER SOURCE PRECISION MEDICINE, INC. (US) 2008-10-16 WO disclosed
WO-2008123866-A2 GENE EXPRESSION PROFILING FOR IDENTIFICATION, MONITORING AND TREATMENT OF OVARIAN CANCER SOURCE PRECISION MEDICINE, INC. (US) 2008-10-16 WO disclosed
WO-2008121132-A2 GENE EXPRESSION PROFILING FOR IDENTIFICATION, MONITORING, AND TREATMENT OF PROSTATE CANCER SOURCE PRECISION MEDICINE, INC. D/B/A SOURCE MDX (US) 2008-10-09 WO disclosed
WO-2008063414-A9 GENE EXPRESSION PROFILING FOR IDENTIFICATION, MONITORING, AND TREATMENT OF COLORECTAL CANCER SOURCE PRECISION MEDICINE INC (US) 2008-09-18 WO disclosed
WO-2008063414-A2 GENE EXPRESSION PROFILING FOR IDENTIFICATION, MONITORING, AND TREATMENT OF COLORECTAL CANCER SOURCE PRECISION MEDICINE, INC. (US) 2008-05-29 WO disclosed
WO-2008063413-A2 GENE EXPRESSION PROFILING FOR IDENTIFICATION, MONITORING, AND TREATMENT OF LUNG CANCER SOURCE PRECISION MEDICINE, INC. (US) 2008-05-29 WO disclosed
EP-1807410-A1 COMPOUNDS AND COMPOSITIONS USEFUL IN THE TREATMENT OF NEOPLASIA NIPRI Limited (GB) 2007-07-18 EP disclosed
WO-2006046071-A1 COMPOUNDS AND COMPOSITIONS USEFUL IN THE TREATMENT OF NEOPLASIA NIPRI LIMITED (GB) 2006-05-04 WO disclosed