Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK8 | P49336 | 2/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | CSF1R | P07333 | 1/20 | 0.39 |
| ▸ | PRKACA | P17612 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.39 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.39 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.39 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.39 |
| ▸ | FLT3 | P36888 | 5/20 | 0.39 |
| ▸ | FLT1 | P17948 | 1/20 | 0.39 |
| ▸ | CDK9 | P50750 | 1/20 | 0.39 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.37 |
| ▸ | IKBKB | O14920 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23331067 | 0.76 | TOP2A (0.35) | FLT3 | |
| SCHEMBL9611703 | 0.74 | CDK8 (0.44) | CDK8ROCK1CHEK1MAP4K4CSF1R | |
| SCHEMBL20278465 | 0.72 | CDK8 (0.49) | CDK8ROCK1CHEK1MAP4K4CSF1R | |
| SCHEMBL5095246 | 0.71 | ITK (0.44) | KDRAURKB | |
| SCHEMBL6420521 | 0.71 | TDP1 (0.47) | CDK8ROCK1CHEK1MAP4K4CSF1R | |
| SCHEMBL24283771 | 0.71 | FLT3 (0.39) | FLT3ADORA3IKBKB | |
| SCHEMBL400723 | 0.70 | CLK4 (0.44) | CDK8ROCK1CHEK1MAP4K4CSF1R | |
| SCHEMBL1154880 | 0.70 | CDK8 (0.41) | CDK8ROCK1CHEK1MAP4K4CSF1R | |
| SCHEMBL14638753 | 0.70 | ADORA3 (0.44) | CDK8ROCK1CHEK1MAP4K4CSF1R | |
| SCHEMBL21672507 | 0.69 | CDK8 (0.38) | CDK8ROCK1CHEK1MAP4K4CSF1R |
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-2021219072-A1 | PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR | 上海科州药物研发有限公司 (CN) | 2021-11-04 | — | — | WO | disclosed |