Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.59 |
| ▸ | NEK1 | Q96PY6 | 2/20 | 0.54 |
| ▸ | AXL | P30530 | 5/20 | 0.52 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.49 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.49 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.49 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.48 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.47 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.47 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.47 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.47 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | CDK1 | P06493 | 1/20 | 0.47 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.47 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.47 |
| ▸ | MARK3 | P27448 | 1/20 | 0.47 |
| ▸ | FLT4 | P35916 | 1/20 | 0.47 |
| ▸ | FLT3 | P36888 | 1/20 | 0.47 |
| ▸ | SYK | P43405 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL858329 | 0.89 | AAK1 (0.67) | AAK1NEK1AXLMAPK8MAPK9 | |
| SCHEMBL858966 | 0.87 | AAK1 (0.63) | AAK1NEK1AXLMAPK8MAPK9 | |
| SCHEMBL857394 | 0.84 | AAK1 (0.64) | AAK1NEK1AXLMAPK8MAPK9 | |
| SCHEMBL857550 | 0.84 | AAK1 (0.58) | AAK1NEK1AXLRIPK1NTRK1 | |
| SCHEMBL857793 | 0.83 | AXL (0.67) | AAK1NEK1AXLRIPK1NTRK1 | |
| SCHEMBL856972 | 0.83 | NEK1 (0.61) | AAK1NEK1AXLRIPK1NTRK1 | |
| SCHEMBL858562 | 0.83 | KIT (0.66) | AAK1NEK1AXLRIPK1NTRK1 | |
| SCHEMBL20733076 | 0.83 | BRD4 (0.62) | AAK1NEK1AXLMAPK8MAPK9 | |
| SCHEMBL878758 | 0.82 | AAK1 (0.56) | AAK1NEK1AXLRIPK1NTRK1 | |
| SCHEMBL20733101 | 0.81 | AXL (0.60) | AAK1NEK1AXLMAPK8MAPK9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3666770-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS CDK8/19 INHIBITORS | Joint Stock Company "Biocad" (RU) | 2020-06-17 | — | — | EP | claimed |
| EP-3666770-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS CDK8/19 INHIBITORS | Joint Stock Company "Biocad" (RU) | 2020-06-17 | — | — | EP | disclosed |
| WO-2019031990-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS CDK8/19 INHIBITORS | ЗАКРЫТОЕ АКЦИОНЕРНОЕ ОБЩЕСТВО "БИОКАД" | 2019-02-14 | — | — | WO | disclosed |