Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 4/20 | 0.46 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.43 |
| ▸ | CDK2 | P24941 | 3/20 | 0.43 |
| ▸ | CCNK | O75909 | 2/20 | 0.43 |
| ▸ | CCND3 | P30281 | 2/20 | 0.43 |
| ▸ | CDK9 | P50750 | 2/20 | 0.43 |
| ▸ | CDK6 | Q00534 | 2/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.41 |
| ▸ | MAPK3 | P27361 | 2/20 | 0.41 |
| ▸ | ULK1 | O75385 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ROS1 | P08922 | 1/20 | 0.39 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL31147673 | 1.00 | LCK (0.46) | LCKCCNA2CDK2CCNKCCND3 | |
| SCHEMBL1221669 | 0.88 | AURKA (0.43) | LCKCDK2EGFRALDH1A1HPGD | |
| SCHEMBL602415 | 0.87 | MAPK3 (0.40) | MAPK3ULK1EGFRROS1ALK | |
| SCHEMBL25005392 | 0.85 | MAPK3 (0.41) | LCKCCNA2CDK2CCNKCCND3 | |
| SCHEMBL29904740 | 0.83 | ROS1 (0.52) | MAPK3ULK1EGFRROS1ALK | |
| SCHEMBL25004486 | 0.83 | ROS1 (0.52) | MAPK3ULK1EGFRROS1ALK | |
| SCHEMBL634522 | 0.81 | ALK (0.44) | CCNA2CDK2CCNKCCND3CDK9 | |
| SCHEMBL31147617 | 0.81 | ALK (0.44) | CCNA2CDK2CCNKCCND3CDK9 | |
| SCHEMBL30366835 | 0.79 | FGFR4 (0.56) | MAPK3 | |
| SCHEMBL28658752 | 0.79 | CCNA2 (0.50) | CCNA2CDK2CCNKCCND3CDK9 |
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-4382514-A1 | PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT | Korea Research Institute of Chemical Technology (KR) | 2024-06-12 | — | — | EP | disclosed |
| WO-2023014022-A1 | PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT | 한국화학연구원 | 2023-02-09 | — | — | WO | disclosed |