Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 2/20 | 0.60 |
| ▸ | AAK1 | Q2M2I8 | 10/20 | 0.47 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.46 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.43 |
| ▸ | AXL | P30530 | 3/20 | 0.42 |
| ▸ | GAK | O14976 | 1/20 | 0.41 |
| ▸ | STK16 | O75716 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | NEK2 | P51955 | 1/20 | 0.41 |
| ▸ | STK3 | Q13188 | 1/20 | 0.41 |
| ▸ | STK11 | Q15831 | 1/20 | 0.41 |
| ▸ | BMP2K | Q9NSY1 | 1/20 | 0.41 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | BRAF | P15056 | 1/20 | 0.41 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20733118 | 0.89 | BRD4 (0.56) | BRD4AAK1NEK1NTRK1DYRK1A | |
| SCHEMBL20732950 | 0.87 | BRD4 (0.54) | BRD4AAK1NEK1NTRK1DYRK1A | |
| SCHEMBL20733076 | 0.87 | BRD4 (0.62) | BRD4AAK1NEK1NTRK1DYRK1A | |
| SCHEMBL20732952 | 0.85 | BRD4 (0.60) | BRD4AAK1NEK1NTRK1AXL | |
| SCHEMBL22113922 | 0.84 | AXL (0.48) | BRD4AAK1NTRK1AXLPAK1 | |
| SCHEMBL20732954 | 0.78 | AXL (0.47) | BRD4AAK1NEK1NTRK1DYRK1A | |
| SCHEMBL20732818 | 0.78 | BRD4 (0.58) | BRD4AAK1NEK1DYRK1AAXL | |
| SCHEMBL878808 | 0.78 | BRD4 (0.52) | BRD4AAK1NEK1NTRK1DYRK1A | |
| SCHEMBL20732810 | 0.77 | AXL (0.46) | BRD4AAK1NEK1NTRK1AXL | |
| SCHEMBL20732819 | 0.76 | AAK1 (0.66) | BRD4AAK1NEK1AXL |
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 2 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 | disclosed |
| WO-2019031990-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS CDK8/19 INHIBITORS | ЗАКРЫТОЕ АКЦИОНЕРНОЕ ОБЩЕСТВО "БИОКАД" | 2019-02-14 | — | — | WO | disclosed |