Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK3 | P27361 | 1/20 | 0.40 |
| ▸ | JAK3 | P52333 | 4/20 | 0.40 |
| ▸ | JAK2 | O60674 | 3/20 | 0.40 |
| ▸ | JAK1 | P23458 | 2/20 | 0.40 |
| ▸ | TYK2 | P29597 | 2/20 | 0.40 |
| ▸ | STAT3 | P40763 | 2/20 | 0.40 |
| ▸ | IGF1R | P08069 | 4/20 | 0.39 |
| ▸ | PLK1 | P53350 | 4/20 | 0.39 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.39 |
| ▸ | PLK2 | Q9NYY3 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 2/20 | 0.39 |
| ▸ | RET | P07949 | 3/20 | 0.37 |
| ▸ | TTK | P33981 | 3/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | CDK7 | P50613 | 2/20 | 0.37 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | CDK4 | P11802 | 1/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.37 |
| ▸ | CCND1 | P24385 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21600875 | 0.94 | PLK1 (0.42) | MAPK3JAK3JAK2JAK1TYK2 | |
| SCHEMBL21600942 | 0.91 | IGF1R (0.45) | MAPK3JAK3JAK2IGF1RPLK1 | |
| SCHEMBL21600952 | 0.84 | CDK2 (0.47) | MAPK3JAK3IGF1RCDK2EGFR | |
| SCHEMBL21600975 | 0.82 | JAK3 (0.44) | MAPK3JAK3PLK1PLK3PLK2 | |
| SCHEMBL28525603 | 0.80 | IGF1R (0.44) | JAK3JAK2JAK1TYK2STAT3 | |
| SCHEMBL21596373 | 0.79 | MAPK3 (0.47) | MAPK3JAK3JAK2IGF1RPLK1 | |
| SCHEMBL21600829 | 0.78 | MAPK3 (0.46) | MAPK3JAK3JAK2IGF1RPLK1 | |
| SCHEMBL21600800 | 0.78 | JAK3 (0.48) | MAPK3JAK3IGF1RTTKEGFR | |
| SCHEMBL21596388 | 0.78 | MAPK3 (0.44) | MAPK3JAK3JAK2IGF1RPLK1 | |
| SCHEMBL21596348 | 0.78 | ALK (0.54) | MAPK3JAK3JAK2IGF1RPLK1 |
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 |