Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKMYT1 | Q99640 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 7/20 | 0.41 |
| ▸ | CDK2 | P24941 | 6/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.39 |
| ▸ | DOT1L | Q8TEK3 | 1/20 | 0.39 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.38 |
| ▸ | CCNC | P24863 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.38 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.37 |
| ▸ | KIT | P10721 | 1/20 | 0.37 |
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 | 0.83 | MAP3K5 (0.54) | AURKACDK2MAPK1SYKMAP3K5 | |
| SCHEMBL25879550 | 0.83 | MAP3K5 (0.54) | AURKACDK2MAPK1SYKMAP3K5 | |
| SCHEMBL25880440 | 0.81 | CCNC (0.41) | AURKACDK2MAPK1SYKDOT1L | |
| SCHEMBL25881870 | 0.79 | ALDH1A1 (0.41) | AURKACDK2MAPK1MAP3K5CCNC | |
| SCHEMBL25879561 | 0.79 | BRAF (0.45) | AURKACDK2MAP3K5CCNCCDK8 | |
| SCHEMBL25880239 | 0.77 | CCNC (0.48) | MAP3K5CCNCCDK8CREBBP | |
| SCHEMBL30512101 | 0.76 | CDK7 (0.42) | CDK2SYKSCN9AMAP3K5CCNC | |
| SCHEMBL25880438 | 0.76 | CCNC (0.41) | SYKMAP3K5CCNCCDK8CREBBP | |
| SCHEMBL25881879 | 0.76 | CDK7 (0.42) | CDK2SYKSCN9AMAP3K5CCNC | |
| SCHEMBL25879708 | 0.76 | BRAF (0.52) | MAP3K5CREBBP |
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 |