Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K5 | Q99683 | 2/20 | 0.54 |
| ▸ | BRAF | P15056 | 12/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | AURKA | O14965 | 2/20 | 0.41 |
| ▸ | CDK2 | P24941 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CCNC | P24863 | 1/20 | 0.40 |
| ▸ | CDK8 | P49336 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30512112 | 1.00 | MAP3K5 (0.54) | MAP3K5BRAFROCK1AURKACDK2 | |
| SCHEMBL25880239 | 0.87 | CCNC (0.48) | MAP3K5BRAFCCNCCDK8 | |
| SCHEMBL25881961 | 0.86 | MAP3K5 (0.54) | MAP3K5BRAFROCK1AURKACDK2 | |
| SCHEMBL30512136 | 0.86 | MAP3K5 (0.54) | MAP3K5BRAFROCK1AURKACDK2 | |
| SCHEMBL25879561 | 0.86 | BRAF (0.45) | MAP3K5BRAFAURKACDK2CCNC | |
| SCHEMBL25880438 | 0.86 | CCNC (0.41) | MAP3K5BRAFCCNCCDK8SYK | |
| SCHEMBL30512101 | 0.86 | CDK7 (0.42) | MAP3K5BRAFCDK2CCNCCDK8 | |
| SCHEMBL25881879 | 0.86 | CDK7 (0.42) | MAP3K5BRAFCDK2CCNCCDK8 | |
| SCHEMBL25881870 | 0.86 | ALDH1A1 (0.41) | MAP3K5BRAFAURKACDK2MAPK1 | |
| SCHEMBL25881661 | 0.86 | MAP3K5 (0.48) | MAP3K5BRAFROCK1CDK2SYK |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023138412-A1 | FUSED PYRIMIDIN-2-AMINE COMPOUNDS AS CDK20 INHIBITORS | INSILICO MEDICINE IP LIMITED (CN) | 2023-07-27 | — | — | WO | disclosed |