Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 15/20 | 0.56 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.54 |
| ▸ | BTK | Q06187 | 4/20 | 0.53 |
| ▸ | JAK3 | P52333 | 3/20 | 0.53 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.52 |
| ▸ | SRC | P12931 | 1/20 | 0.51 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.50 |
| ▸ | CDC7 | O00311 | 1/20 | 0.49 |
| ▸ | PLK4 | O00444 | 1/20 | 0.49 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.49 |
| ▸ | AURKA | O14965 | 1/20 | 0.49 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.49 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.49 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.49 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.49 |
| ▸ | JAK2 | O60674 | 1/20 | 0.49 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.49 |
| ▸ | PAK4 | O96013 | 1/20 | 0.49 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.49 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL23255650 | 0.92 | EGFR (0.64) | EGFRMAPK3BTKJAK3LRRK2 | |
| SCHEMBL27238046 | 0.86 | EGFR (0.66) | EGFRMAPK3LRRK2ALKROS1 | |
| SCHEMBL30223016 | 0.86 | EGFR (0.66) | EGFRMAPK3LRRK2ALKROS1 | |
| SCHEMBL15600768 | 0.85 | EGFR (0.64) | EGFRBTKJAK3ALKINSR | |
| SCHEMBL16371150 | 0.84 | EGFR (0.71) | EGFRBTKJAK3LRRK2ALK | |
| SCHEMBL30223076 | 0.82 | EGFR (0.55) | EGFRMAPK3BTKJAK3ALK | |
| SCHEMBL25005692 | 0.82 | EGFR (0.55) | EGFRMAPK3BTKJAK3ALK | |
| SCHEMBL16371486 | 0.82 | BTK (0.62) | EGFRMAPK3BTKJAK3LRRK2 | |
| SCHEMBL16781014 | 0.81 | EGFR (0.63) | EGFRBTKJAK3ALKINSR | |
| SCHEMBL23248535 | 0.81 | EGFR (0.69) | EGFRMAPK3BTKLRRK2ALK |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021075691-A1 | PYRIMIDINE DERIVATIVE, METHOD OF PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, COMPRISING SAME AS EFFECTIVE COMPONENT | 한국화학연구원 | 2021-04-22 | — | — | WO | claimed |
| WO-2021075691-A1 | PYRIMIDINE DERIVATIVE, METHOD OF PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, COMPRISING SAME AS EFFECTIVE COMPONENT | 한국화학연구원 | 2021-04-22 | — | — | WO | disclosed |