Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNC | P24863 | 7/20 | 0.40 |
| ▸ | CDK8 | P49336 | 7/20 | 0.40 |
| ▸ | MELK | Q14680 | 2/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP46A1 | Q9Y6A2 | 2/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.35 |
| ▸ | ADH5 | P11766 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20733016 | 0.89 | MELK (0.42) | CCNCCDK8MELKGPR119CYP2D6 | |
| SCHEMBL22113717 | 0.87 | CCNC (0.37) | CCNCCDK8MELKGPR119CYP2D6 | |
| SCHEMBL20732975 | 0.86 | CHEK1 (0.42) | CCNCCDK8CHEK1GPR119 | |
| SCHEMBL20732892 | 0.69 | CCNC (0.49) | CCNCCDK8 | |
| SCHEMBL20733081 | 0.68 | HPGD (0.48) | CCNCCDK8MAPK1 | |
| SCHEMBL20732932 | 0.67 | CCNC (0.57) | CCNCCDK8CHEK1 | |
| SCHEMBL16432643 | 0.66 | MAP4K4 (0.48) | SLC22A12TSHRALDH1A1 | |
| SCHEMBL20732965 | 0.65 | CCNC (0.54) | CCNCCDK8 | |
| SCHEMBL22070452 | 0.62 | CCNC (0.48) | CCNCCDK8 | |
| SCHEMBL20733015 | 0.60 | SGK1 (0.46) | ALDH1A1MAPK1 |
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 |