Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 14/20 | 0.75 |
| ▸ | ALK | Q9UM73 | 3/20 | 0.75 |
| ▸ | MAPK3 | P27361 | 2/20 | 0.67 |
| ▸ | IGF1R | P08069 | 1/20 | 0.64 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.64 |
| ▸ | ROS1 | P08922 | 1/20 | 0.61 |
| ▸ | MAP3K7 | O43318 | 2/20 | 0.60 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.60 |
| ▸ | SRC | P12931 | 1/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.60 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.60 |
| ▸ | JAK3 | P52333 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL23248546 | 0.94 | EGFR (0.72) | EGFRALKMAPK3IGF1R | |
| SCHEMBL23248551 | 0.92 | EGFR (0.70) | EGFRALKMAPK3SRC | |
| SCHEMBL21164794 | 0.91 | EGFR (0.77) | EGFRALKMAPK3IGF1RKCNH2 | |
| SCHEMBL23248556 | 0.90 | EGFR (0.71) | EGFRALKMAPK3IGF1RKCNH2 | |
| SCHEMBL19027390 | 0.89 | EGFR (0.74) | EGFRALKMAPK3IGF1RKCNH2 | |
| SCHEMBL19027799 | 0.88 | EGFR (0.79) | EGFRALKMAPK3IGF1RKCNH2 | |
| SCHEMBL19027794 | 0.88 | ALK (0.95) | EGFRALKMAPK3IGF1RKCNH2 | |
| SCHEMBL14150200 | 0.87 | ALK (0.74) | EGFRALKIGF1RKCNH2 | |
| SCHEMBL19027784 | 0.87 | EGFR (0.81) | EGFRALKMAPK3IGF1RKCNH2 | |
| SCHEMBL19027970 | 0.87 | EGFR (0.74) | EGFRALKMAPK3IGF1RKCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |