Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACVR1 | Q04771 | 1/20 | 0.55 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.54 |
| ▸ | CCNC | P24863 | 4/20 | 0.48 |
| ▸ | CDK8 | P49336 | 4/20 | 0.48 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 2/20 | 0.47 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.47 |
| ▸ | ERBB4 | Q15303 | 2/20 | 0.47 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.46 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.44 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.44 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.44 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.44 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.44 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.44 |
| ▸ | MTOR | P42345 | 1/20 | 0.44 |
| ▸ | AXL | P30530 | 1/20 | 0.43 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL20732984 | 0.80 | ACVR1 (0.59) | ACVR1CCNCCDK8ALKEGFR | |
| SCHEMBL20732940 | 0.77 | TGFBR1 (0.39) | ACVR1LRRK2CCNCCDK8TGFBR1 | |
| SCHEMBL20732986 | 0.76 | ACVR1 (0.57) | ACVR1LRRK2CCNCCDK8ALK | |
| SCHEMBL20732859 | 0.76 | CYP1A2 (0.54) | ACVR1LRRK2TGFBR1 | |
| SCHEMBL22119753 | 0.74 | ACVR1 (0.55) | ACVR1LRRK2CCNCCDK8ALK | |
| SCHEMBL18115936 | 0.74 | CCNC (0.47) | ACVR1LRRK2CCNCCDK8ALK | |
| SCHEMBL30668661 | 0.74 | CCNC (0.47) | ACVR1LRRK2CCNCCDK8ALK | |
| SCHEMBL20733053 | 0.73 | MAPKAPK2 (0.56) | ACVR1TGFBR1 | |
| SCHEMBL2662178 | 0.72 | LRRK2 (0.51) | LRRK2CCNCCDK8PIK3CAPIK3CD | |
| SCHEMBL28509305 | 0.72 | ACVR1 (0.49) | ACVR1CCNCCDK8ALKEGFR |
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 |