Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 9/20 | 0.66 |
| ▸ | JAK2 | O60674 | 5/20 | 0.66 |
| ▸ | JAK3 | P52333 | 4/20 | 0.66 |
| ▸ | CDC7 | O00311 | 1/20 | 0.54 |
| ▸ | PLK4 | O00444 | 1/20 | 0.54 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.54 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.54 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.54 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.54 |
| ▸ | INSR | P06213 | 1/20 | 0.54 |
| ▸ | LCK | P06239 | 1/20 | 0.54 |
| ▸ | FYN | P06241 | 1/20 | 0.54 |
| ▸ | CDK1 | P06493 | 1/20 | 0.54 |
| ▸ | RET | P07949 | 1/20 | 0.54 |
| ▸ | ROS1 | P08922 | 1/20 | 0.54 |
| ▸ | SRC | P12931 | 1/20 | 0.54 |
| ▸ | FER | P16591 | 1/20 | 0.54 |
| ▸ | PRKACA | P17612 | 1/20 | 0.54 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.54 |
| ▸ | CDK2 | P24941 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL17770595 | 0.87 | JAK2 (0.66) | EGFRJAK2JAK3JAK1MAP2K7 | |
| SCHEMBL20909466 | 0.83 | EGFR (0.63) | EGFRJAK2JAK3CDC7PLK4 | |
| SCHEMBL4818418 | 0.81 | JAK2 (0.56) | EGFRJAK2JAK3CDC7PLK4 | |
| SCHEMBL4818423 | 0.81 | JAK2 (0.56) | EGFRJAK2JAK3CDC7PLK4 | |
| SCHEMBL17339446 | 0.80 | JAK2 (0.64) | EGFRJAK2JAK3CDC7PLK4 | |
| SCHEMBL4828085 | 0.80 | JAK2 (0.64) | EGFRJAK2JAK3CDC7PLK4 | |
| SCHEMBL17475674 | 0.79 | EGFR (1.00) | EGFRJAK2JAK3JAK1MAP2K7 | |
| SCHEMBL17235693 | 0.79 | EGFR (1.00) | EGFRJAK2JAK3JAK1MAP2K7 | |
| SCHEMBL401336 | 0.79 | KDR (0.77) | EGFRJAK2JAK3CDC7PLK4 | |
| SCHEMBL1318717 | 0.79 | SRC (0.77) | EGFRJAK2JAK3CDC7PLK4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3221320-A1 | A PROCESS FOR THE PREPARATION OF IBRUTINIB | Sun Pharmaceutical Industries Ltd (IN) | 2017-09-27 | — | — | EP | disclosed |
| WO-2016079693-A1 | A PROCESS FOR THE PREPARATION OF IBRUTINIB | SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) | 2016-05-26 | — | — | WO | disclosed |