Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK3 | P27361 | 6/20 | 0.52 |
| ▸ | EGFR | P00533 | 11/20 | 0.49 |
| ▸ | BTK | Q06187 | 7/20 | 0.48 |
| ▸ | TXK | P42681 | 2/20 | 0.48 |
| ▸ | JAK3 | P52333 | 2/20 | 0.48 |
| ▸ | ITK | Q08881 | 2/20 | 0.48 |
| ▸ | GAK | O14976 | 1/20 | 0.48 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.48 |
| ▸ | JAK1 | P23458 | 1/20 | 0.48 |
| ▸ | TTK | P33981 | 1/20 | 0.48 |
| ▸ | BLK | P51451 | 1/20 | 0.48 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.48 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.46 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.46 |
| ▸ | IGF1R | P08069 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | JAK2 | O60674 | 1/20 | 0.45 |
| ▸ | LYN | P07948 | 1/20 | 0.45 |
| ▸ | TEC | P42680 | 1/20 | 0.45 |
| ▸ | BMX | P51813 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28537290 | 0.83 | EGFR (0.46) | EGFRALK | |
| SCHEMBL21600780 | 0.81 | GSK3B (0.45) | EGFR | |
| SCHEMBL26473129 | 0.80 | EGFR (0.70) | EGFRBTKERBB2BLKERBB4 | |
| SCHEMBL21600865 | 0.78 | MAPK3 (0.49) | MAPK3EGFRBTKJAK3ITK | |
| SCHEMBL21600950 | 0.77 | JAK3 (0.55) | MAPK3EGFRJAK3BLKFGFR1 | |
| SCHEMBL13165711 | 0.76 | EGFR (0.70) | EGFRBTKJAK3ITKERBB2 | |
| SCHEMBL23606562 | 0.76 | EGFR (0.50) | MAPK3EGFRBTKJAK3ERBB2 | |
| SCHEMBL13165569 | 0.76 | EGFR (0.77) | EGFRBTKTXKJAK3ITK | |
| SCHEMBL29722311 | 0.76 | EGFR (0.77) | EGFRBTKTXKJAK3ITK | |
| SCHEMBL29722398 | 0.75 | EGFR (0.72) | EGFRBTKJAK3ITKJAK2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112313207-B | Cyano-substituted pyridine and cyano-substituted pyrimidine compounds, and preparation methods and applications thereof | 北京赛特明强医药科技有限公司 | 2023-02-14 | — | — | CN | disclosed |
| CN-112313207-A | Cyano-substituted pyridine and cyano-substituted pyrimidine compounds, and preparation methods and applications thereof | 北京赛特明强医药科技有限公司 | 2021-02-02 | — | — | CN | disclosed |
| WO-2019242689-A1 | CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF | 北京赛特明强医药科技有限公司 | 2019-12-26 | — | — | WO | disclosed |