Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK9 | P50750 | 5/20 | 0.46 |
| ▸ | AURKA | O14965 | 4/20 | 0.46 |
| ▸ | CDK7 | P50613 | 4/20 | 0.46 |
| ▸ | AURKB | Q96GD4 | 4/20 | 0.46 |
| ▸ | CDK2 | P24941 | 4/20 | 0.46 |
| ▸ | CDK4 | P11802 | 3/20 | 0.46 |
| ▸ | CDK1 | P06493 | 2/20 | 0.46 |
| ▸ | IKBKB | O14920 | 1/20 | 0.45 |
| ▸ | CHUK | O15111 | 1/20 | 0.45 |
| ▸ | JAK2 | O60674 | 13/20 | 0.45 |
| ▸ | JAK3 | P52333 | 9/20 | 0.44 |
| ▸ | MAPK8 | P45983 | 3/20 | 0.44 |
| ▸ | WEE1 | P30291 | 2/20 | 0.44 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.44 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.44 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.44 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.44 |
| ▸ | IKBKE | Q14164 | 2/20 | 0.44 |
| ▸ | TBK1 | Q9UHD2 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14470099 | 0.95 | IKBKB (0.44) | CDK9AURKACDK7AURKBCDK2 | |
| SCHEMBL8308936 | 0.91 | CDK2 (0.47) | CDK9AURKACDK7AURKBCDK2 | |
| SCHEMBL5070979 | 0.86 | IKBKB (0.47) | CDK9AURKACDK7AURKBCDK2 | |
| SCHEMBL8313335 | 0.85 | IKBKB (0.49) | CDK9AURKACDK7AURKBCDK2 | |
| SCHEMBL8312435 | 0.81 | IKBKB (0.51) | CDK9AURKACDK7AURKBCDK2 | |
| SCHEMBL14063856 | 0.80 | IKBKB (0.53) | IKBKBCHUKJAK2CDK8 | |
| SCHEMBL14063867 | 0.80 | JAK2 (0.46) | CDK9AURKACDK7AURKBCDK2 | |
| SCHEMBL8308934 | 0.80 | IKBKB (0.45) | CDK9AURKACDK7AURKBCDK2 | |
| SCHEMBL8308375 | 0.79 | JAK2 (0.47) | CDK2CDK1IKBKBCHUKJAK2 | |
| SCHEMBL11924748 | 0.78 | IKBKB (0.53) | IKBKBCHUKJAK2JAK3MAPK8 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1349841-B1 | ANILINOPYRIMIDINE DERIVATIVES AS IKK INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO | SIGNAL PHARM LLC (US) | 2009-12-02 | — | — | EP | disclosed |