Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AXL | P30530 | 8/20 | 0.69 |
| ▸ | AURKA | O14965 | 2/20 | 0.69 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.69 |
| ▸ | NEK2 | P51955 | 2/20 | 0.64 |
| ▸ | ALK | Q9UM73 | 7/20 | 0.60 |
| ▸ | PTK2 | Q05397 | 6/20 | 0.54 |
| ▸ | INSR | P06213 | 5/20 | 0.49 |
| ▸ | MERTK | Q12866 | 1/20 | 0.49 |
| ▸ | EGFR | P00533 | 2/20 | 0.49 |
| ▸ | CDC7 | O00311 | 1/20 | 0.49 |
| ▸ | PLK4 | O00444 | 1/20 | 0.49 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.49 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.49 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.49 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.49 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.49 |
| ▸ | JAK2 | O60674 | 1/20 | 0.49 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.49 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.49 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL30590501 | 1.00 | AXL (0.69) | AXLAURKAAURKBNEK2ALK | |
| SCHEMBL21437508 | 0.88 | AXL (0.74) | AXLAURKAAURKBNEK2ALK | |
| SCHEMBL21438066 | 0.87 | AXL (0.73) | AXLAURKAAURKBNEK2ALK | |
| SCHEMBL31173410 | 0.87 | AXL (0.73) | AXLAURKAAURKBNEK2ALK | |
| SCHEMBL21446913 | 0.81 | AXL (0.87) | AXLAURKAAURKBNEK2PTK2 | |
| Dubermatinib SCHEMBL29394359 | 0.81 | AXL (1.00) | AXLAURKAAURKBNEK2ALK | |
| Dubermatinib SCHEMBL12813478 | 0.81 | AXL (1.00) | AXLAURKAAURKBNEK2ALK | |
| SCHEMBL21437921 | 0.81 | AXL (0.70) | AXLAURKAAURKBNEK2ALK | |
| SCHEMBL24727537 | 0.81 | AXL (0.86) | AXLAURKAAURKBNEK2ALK | |
| SCHEMBL21446896 | 0.81 | AXL (0.83) | AXLAURKAAURKBNEK2ALK |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023134582-A1 | PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF | 上海立森印迹医药技术有限公司 | 2023-07-20 | — | — | WO | disclosed |