Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROS1 | P08922 | 7/20 | 0.55 |
| ▸ | ALK | Q9UM73 | 7/20 | 0.55 |
| ▸ | EGFR | P00533 | 13/20 | 0.45 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.43 |
| ▸ | MET | P08581 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29904629 | 0.86 | ALK (0.58) | ROS1ALKEGFRLRRK2 | |
| SCHEMBL26906759 | 0.86 | ALK (0.58) | ROS1ALKEGFRLRRK2 | |
| SCHEMBL29114868 | 0.80 | ALK (0.52) | ROS1ALKEGFRLRRK2 | |
| SCHEMBL28364732 | 0.77 | EGFR (0.76) | EGFRLRRK2MET | |
| SCHEMBL29114902 | 0.77 | ROS1 (0.48) | ROS1ALKEGFRLRRK2 | |
| SCHEMBL26907011 | 0.76 | ALK (0.64) | ROS1ALKEGFRLRRK2MET | |
| SCHEMBL29904627 | 0.76 | ALK (0.64) | ROS1ALKEGFRLRRK2MET | |
| SCHEMBL26906784 | 0.74 | EGFR (0.59) | ROS1ALKEGFRLRRK2MET | |
| SCHEMBL29904639 | 0.74 | EGFR (0.75) | ALKEGFRLRRK2 | |
| SCHEMBL26906790 | 0.74 | EGFR (0.75) | ALKEGFRLRRK2 |
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-117120424-A | Pyrimidine derivatives having protein kinase inhibitory activity and therapeutic combinations comprising the same | 泰拉佩克斯有限公司 | 2023-11-24 | — | — | CN | disclosed |