Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 2/20 | 0.51 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | PTK2 | Q05397 | 3/20 | 0.45 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.45 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.45 |
| ▸ | CDK2 | P24941 | 1/20 | 0.45 |
| ▸ | CDK9 | P50750 | 1/20 | 0.45 |
| ▸ | IKBKB | O14920 | 1/20 | 0.44 |
| ▸ | CHUK | O15111 | 1/20 | 0.44 |
| ▸ | IKBKG | Q9Y6K9 | 1/20 | 0.44 |
| ▸ | RAD52 | P43351 | 2/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CDC7 | O00311 | 1/20 | 0.42 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.42 |
| ▸ | NR4A1 | P22736 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30512108 | 1.00 | BRAF (0.51) | BRAFHTR2CMAP3K5MEN1KMT2A | |
| SCHEMBL25879550 | 0.84 | MAP3K5 (0.54) | BRAFMAP3K5KMT2ACDK2AURKA | |
| SCHEMBL30512112 | 0.84 | MAP3K5 (0.54) | BRAFMAP3K5KMT2ACDK2AURKA | |
| SCHEMBL25880000 | 0.83 | BRAF (0.46) | BRAFMAP3K5RAD52 | |
| SCHEMBL30512121 | 0.83 | BRAF (0.46) | BRAFMAP3K5RAD52 | |
| SCHEMBL25881961 | 0.80 | MAP3K5 (0.54) | BRAFMAP3K5CDK2AURKAMAPK1 | |
| SCHEMBL30512136 | 0.80 | MAP3K5 (0.54) | BRAFMAP3K5CDK2AURKAMAPK1 | |
| SCHEMBL25881960 | 0.79 | MAP3K5 (0.54) | BRAFMAP3K5PTK2 | |
| SCHEMBL25880004 | 0.78 | SYK (0.45) | MAP3K5SYK | |
| SCHEMBL30512103 | 0.78 | MAP3K5 (0.50) | BRAFMAP3K5MEN1KMT2ACDK2 |
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 |