Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Elimusertib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR known ✓ | Q13535 | 20/20 | 1.00 |
| ▸ | ATRIP | Q8WXE1 | 20/20 | 1.00 |
| ▸ | GAK | O14976 | 1/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 1/20 | 1.00 |
| ▸ | CYP2C8 | P10632 | 1/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 1/20 | 1.00 |
| ▸ | PIK3CB | P42338 | 1/20 | 1.00 |
| ▸ | MTOR | P42345 | 1/20 | 1.00 |
| ▸ | PRKDC | P78527 | 1/20 | 1.00 |
| ▸ | ATM | Q13315 | 1/20 | 1.00 |
| ▸ | RIOK2 | Q9BVS4 | 1/20 | 1.00 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Elimusertib SCHEMBL25080815 | 1.00 | ATR (1.00) | ATRATRIPGAKCYP3A4CYP2C8 | |
| Elimusertib SCHEMBL29569580 | 1.00 | ATR (1.00) | ATRATRIPGAKCYP3A4CYP2C8 | |
| Elimusertib SCHEMBL17501318 | 1.00 | ATR (1.00) | ATRATRIPGAKCYP3A4CYP2C8 | |
| Elimusertib SCHEMBL31602087 | 1.00 | ATR (1.00) | ATRATRIPGAKCYP3A4CYP2C8 | |
| Elimusertib SCHEMBL30200285 | 1.00 | ATR (1.00) | ATRATRIPGAKCYP3A4CYP2C8 | |
| SCHEMBL17501562 | 0.90 | ATR (1.00) | ATRATRIPGAKCYP3A4CYP2C8 | |
| SCHEMBL17501435 | 0.89 | ATR (1.00) | ATRATRIPGAKCYP3A4CYP2C8 | |
| SCHEMBL20081857 | 0.89 | ATR (1.00) | ATRATRIPGAKCYP3A4CYP2C8 | |
| SCHEMBL17501126 | 0.89 | ATR (1.00) | ATRATRIPGAKCYP3A4CYP2C8 | |
| SCHEMBL21756633 | 0.89 | ATR (0.80) | ATRATRIPGAKCYP3A4CYP2C8 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023116865-A1 | PYRAZOLE-CONTAINING DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 优领医药科技（上海）有限公司 | 2023-06-29 | — | — | WO | disclosed |
| EP-3841101-B1 | METHOD FOR PREPARING 2-[(3R)-3-METHYLMORPHOLIN-4-YL]-4-[1-METHYL-1H-PYRAZOL-5-YL)-8-(1H-PYRAZOL-5-YL)-1,7-NAPHTHYRIDINE | BAYER AG (DE) | 2023-05-03 | — | — | EP | disclosed |
| WO-2023020604-A1 | FIVE-MEMBERED NITROGEN-CONTAINING HETEROCYCLIC AND HETEROARYL DERIVATIVE AND USE THEREOF | 南京大美生物制药有限公司 | 2023-02-23 | — | — | WO | disclosed |
| EP-3395818-B1 | 2-(MORPHOLIN-4-YL)-1,7-NAPHTHYRIDINES | Bayer Pharma AG (DE) | 2021-09-22 | — | — | EP | disclosed |
| WO-2020078788-A1 | COMBINATION OF ATR KINASE INHIBITORS WITH 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 2020-04-23 | — | — | WO | disclosed |
| WO-2020078905-A1 | COMBINATION THERAPY UTILIZING DNA ALKYLATING AGENTS AND ATR INHIBITORS | MERCK PATENT GMBH (DE) | 2020-04-23 | — | — | WO | disclosed |
| WO-2020039025-A1 | METHOD FOR PREPARING 2-[(3R)-3-METHYLMORPHOLIN-4-YL]-4-[1-METHYL-1H-PYRAZOL-5-YL)-8-(1H-PYRAZOL-5-YL)-1,7-NAPHTHYRIDINE | BAYER AKTIENGESELLSCHAFT (DE) | 2020-02-27 | — | — | WO | disclosed |
| WO-2019110586-A1 | PREDICTIVE MARKERS FOR ATR KINASE INHIBITORS | BAYER AKTIENGESELLSCHAFT (DE) | 2019-06-13 | — | — | WO | disclosed |
| EP-3461480-A1 | COMBINATION OF A DNA DAMAGE RESPONSE CELL CYCLE CHECKPOINT INHIBITORS AND BELINOSTAT FOR TREATING CANCER | ONXEO (FR) | 2019-04-03 | — | — | EP | disclosed |
| WO-2019057852-A1 | USE OF KAP1 AS A BIOMARKER FOR DETECTING OR MONITORING ATR INHIBITION IN A SUBJECT | BAYER AKTIENGESELLSCHAFT (DE) | 2019-03-28 | — | — | WO | disclosed |
| WO-2019025440-A1 | COMBINATION OF ATR KINASE INHIBITORS AND PD-1/PD-L1 INHIBITORS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2019-02-07 | — | — | WO | disclosed |
| EP-3177619-B1 | 2-(MORPHOLIN-4-YL)-1,7-NAPHTHYRIDINES | Bayer Pharma AG (DE) | 2018-04-25 | — | — | EP | disclosed |