Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Danusertib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA known ✓ | O14965 | 18/20 | 0.98 |
| ▸ | AURKB known ✓ | Q96GD4 | 8/20 | 0.98 |
| ▸ | AURKC known ✓ | Q9UQB9 | 2/20 | 0.98 |
| ▸ | ABL1 | P00519 | 4/20 | 0.98 |
| ▸ | CDK2 | P24941 | 4/20 | 0.98 |
| ▸ | NTRK1 | P04629 | 3/20 | 0.98 |
| ▸ | RET | P07949 | 3/20 | 0.98 |
| ▸ | FGFR1 | P11362 | 3/20 | 0.98 |
| ▸ | LIMK1 | P53667 | 3/20 | 0.98 |
| ▸ | BCR | P11274 | 3/20 | 0.98 |
| ▸ | PLK4 | O00444 | 2/20 | 0.98 |
| ▸ | JAK2 | O60674 | 2/20 | 0.98 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.98 |
| ▸ | LCK | P06239 | 2/20 | 0.98 |
| ▸ | FYN | P06241 | 2/20 | 0.98 |
| ▸ | FES | P07332 | 2/20 | 0.98 |
| ▸ | LYN | P07948 | 2/20 | 0.98 |
| ▸ | SRC | P12931 | 2/20 | 0.98 |
| ▸ | PHKG2 | P15735 | 2/20 | 0.98 |
| ▸ | FER | P16591 | 2/20 | 0.98 |
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 | |
|---|---|---|---|---|
| Danusertib SCHEMBL2685432 | 0.99 | AURKA (1.00) | AURKAAURKBABL1CDK2NTRK1 | |
| Danusertib SCHEMBL466509 | 0.99 | AURKA (1.00) | AURKAAURKBABL1CDK2NTRK1 | |
| SCHEMBL1377925 | 0.92 | AURKA (0.86) | AURKAAURKBABL1CDK2NTRK1 | |
| SCHEMBL26184014 | 0.92 | AURKA (0.86) | AURKAAURKBABL1CDK2NTRK1 | |
| SCHEMBL9998664 | 0.92 | AURKA (0.86) | AURKAAURKBABL1CDK2NTRK1 | |
| SCHEMBL25277403 | 0.92 | AURKA (0.86) | AURKAAURKBABL1CDK2NTRK1 | |
| SCHEMBL3486749 | 0.91 | AURKA (0.85) | AURKAAURKBABL1CDK2NTRK1 | |
| SCHEMBL3486691 | 0.91 | AURKA (0.85) | AURKAAURKBABL1CDK2NTRK1 | |
| SCHEMBL1377947 | 0.91 | AURKA (0.85) | AURKAAURKBABL1CDK2NTRK1 | |
| SCHEMBL2922037 | 0.91 | AURKA (0.85) | AURKAAURKBABL1CDK2NTRK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12188095-B2 | Methods and compositions for identifying and treating patients with small cell lung cancer | UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) | 2025-01-07 | — | — | US | disclosed |
| EP-4328319-A2 | METHODS AND COMPOSITIONS FOR IDENTIFYING AND TREATING PATIENTS WITH SMALL CELL LUNG CANCER | University of Utah Research Foundation (US) | 2024-02-28 | — | — | EP | disclosed |
| US-20220073998-A1 | Methods and Compositions For Identifying And Treating Patients With Small Cell Lung Cancer | UNIVERSITY OF UTAH | 2022-03-10 | — | — | US | disclosed |