Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DKK1 | O94907 | 1/20 | 0.37 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 4/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.34 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.34 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.34 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.34 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.34 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 2/20 | 0.33 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
| ▸ | CLK1 | P49759 | 1/20 | 0.33 |
| ▸ | CLK2 | P49760 | 1/20 | 0.33 |
| ▸ | CLK3 | P49761 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 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 | |
|---|---|---|---|---|
| SCHEMBL26973963 | 0.77 | CDK2 (0.37) | DKK1KDM1AHRH3HRH4TLR9 | |
| SCHEMBL21486451 | 0.77 | HRH3 (0.37) | DKK1PTPN11HRH3HRH4CDK2 | |
| SCHEMBL21481495 | 0.72 | CDK2 (0.36) | CDK2DYRK3CCNT1CCNA2CLK1 | |
| SCHEMBL26134858 | 0.70 | EGFR (0.42) | PTPN11KDM1AMAPK8MAPK10CDK2 | |
| SCHEMBL25590744 | 0.70 | KDM4E (0.33) | — | |
| SCHEMBL23352055 | 0.69 | CDK2 (0.33) | CDK2DYRK3CCNT1CCNA2CLK1 | |
| SCHEMBL21481497 | 0.68 | CDK2 (0.33) | CDK2DYRK3CCNT1CCNA2CLK1 | |
| SCHEMBL15224900 | 0.68 | KDM4E (0.42) | CDK2DYRK3CCNT1CCNA2CLK1 | |
| SCHEMBL15224899 | 0.68 | KDM4E (0.42) | CDK2DYRK3CCNT1CCNA2CLK1 | |
| SCHEMBL29842036 | 0.68 | CDK2 (0.52) | TLR9TLR8TLR7CDK2CDK9 |
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-2023227125-A1 | NEW FUSED-HETEROCYCLIC COMPOUND AS CDK INHIBITOR AND USE THEREOF | 杭州德睿智药科技有限公司 | 2023-11-30 | — | — | WO | disclosed |