Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK7 | P50613 | 12/20 | 0.66 |
| ▸ | CDK9 | P50750 | 12/20 | 0.66 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.56 |
| ▸ | IGF1R | P08069 | 2/20 | 0.56 |
| ▸ | CDK4 | P11802 | 2/20 | 0.56 |
| ▸ | CDK2 | P24941 | 2/20 | 0.56 |
| ▸ | AURKA | O14965 | 1/20 | 0.56 |
| ▸ | EPHA1 | P21709 | 1/20 | 0.56 |
| ▸ | CDK3 | Q00526 | 1/20 | 0.56 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.56 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.56 |
| ▸ | ALK | Q9UM73 | 8/20 | 0.52 |
| ▸ | PLK4 | O00444 | 1/20 | 0.50 |
| ▸ | BUB1B | O60566 | 1/20 | 0.50 |
| ▸ | JAK2 | O60674 | 1/20 | 0.50 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.50 |
| ▸ | ABL1 | P00519 | 1/20 | 0.50 |
| ▸ | EGFR | P00533 | 1/20 | 0.50 |
| ▸ | INSR | P06213 | 1/20 | 0.50 |
| ▸ | LCK | P06239 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL29214385 | 1.00 | CDK7 (0.66) | CDK7CDK9NTRK1IGF1RCDK4 | |
| SCHEMBL375643 | 0.83 | ALK (0.67) | CDK7CDK9NTRK1IGF1RCDK4 | |
| SCHEMBL29666260 | 0.83 | ALK (0.67) | CDK7CDK9NTRK1IGF1RCDK4 | |
| SCHEMBL1491777 | 0.82 | CDK7 (0.60) | CDK7CDK9NTRK1IGF1RCDK4 | |
| SCHEMBL18843572 | 0.81 | CDK7 (0.54) | CDK7CDK9NTRK1IGF1RCDK4 | |
| SCHEMBL29214361 | 0.81 | CDK7 (0.60) | CDK7CDK9NTRK1IGF1RCDK4 | |
| SCHEMBL28449568 | 0.81 | CDK7 (0.60) | CDK7CDK9NTRK1IGF1RCDK4 | |
| SCHEMBL18843571 | 0.80 | ALK (0.66) | CDK7CDK9IGF1RALKINSR | |
| SCHEMBL25139977 | 0.79 | ALK (0.51) | CDK7CDK9NTRK1IGF1RCDK4 | |
| SCHEMBL1491763 | 0.79 | ALK (0.52) | CDK7CDK9NTRK1IGF1RCDK4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-118063393-A | 2, 4-Diaminopyrimidine derivative and preparation method and application thereof | 中国科学院上海药物研究所 | 2024-05-24 | — | — | CN | disclosed |