Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 6/20 | 0.43 |
| ▸ | MAP2K1 | Q02750 | 3/20 | 0.41 |
| ▸ | NEK2 | P51955 | 4/20 | 0.38 |
| ▸ | KDR | P35968 | 3/20 | 0.38 |
| ▸ | RIPK2 | O43353 | 2/20 | 0.38 |
| ▸ | RAF1 | P04049 | 2/20 | 0.38 |
| ▸ | MAP2K2 | P36507 | 2/20 | 0.38 |
| ▸ | TGFBR2 | P37173 | 2/20 | 0.38 |
| ▸ | TNK2 | Q07912 | 2/20 | 0.38 |
| ▸ | MAP2K5 | Q13163 | 2/20 | 0.38 |
| ▸ | PTK6 | Q13882 | 2/20 | 0.38 |
| ▸ | NEK11 | Q8NG66 | 2/20 | 0.38 |
| ▸ | MAP3K20 | Q9NYL2 | 2/20 | 0.38 |
| ▸ | MAP4K5 | Q9Y4K4 | 2/20 | 0.38 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.38 |
| ▸ | PLK4 | O00444 | 1/20 | 0.38 |
| ▸ | PIR | O00625 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.38 |
| ▸ | EPHB6 | O15197 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL287953 | 0.87 | CYP2C9 (0.42) | BRAFMAP2K1NEK2KDRRIPK2 | |
| SCHEMBL288520 | 0.87 | CYP3A4 (0.34) | BRAFMAP2K1NEK2KDRRIPK2 | |
| SCHEMBL297872 | 0.87 | CYP2C9 (0.48) | BRAFMAP2K1NEK2KDRRIPK2 | |
| SCHEMBL994632 | 0.86 | BRAF (0.45) | BRAFMAP2K1NEK2KDRRIPK2 | |
| SCHEMBL285511 | 0.85 | BRAF (0.44) | BRAFMAP2K1NEK2KDRRIPK2 | |
| SCHEMBL995687 | 0.85 | BRAF (0.56) | BRAFMAP2K1NEK2KDRRIPK2 | |
| SCHEMBL413438 | 0.85 | BRAF (0.45) | BRAFMAP2K1NEK2KDRRIPK2 | |
| SCHEMBL413409 | 0.85 | BRAF (0.49) | BRAFMAP2K1NEK2KDRRIPK2 | |
| SCHEMBL2353091 | 0.84 | BRAF (0.42) | BRAFMAP2K1NEK2KDRRIPK2 | |
| SCHEMBL1723925 | 0.83 | CYP3A4 (0.49) | BRAFMAP2K1NEK2KDRRIPK2 |
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-1893612-B1 | PYRROLO [2, 3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS | PLEXXIKON INC (US) | 2011-08-03 | — | — | EP | claimed |
| EP-2427433-A1 | SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS | Plexxikon, Inc. (US) | 2012-03-14 | — | — | EP | disclosed |