Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK3 | P52333 | 4/20 | 0.43 |
| ▸ | BTK | Q06187 | 2/20 | 0.37 |
| ▸ | ITK | Q08881 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | IRAK1 | P51617 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | STAT1 | P42224 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | SYK | P43405 | 4/20 | 0.33 |
| ▸ | TYRO3 | Q06418 | 2/20 | 0.32 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3398992 | 0.82 | JAK3 (0.42) | JAK3BTKITKMAPK1IRAK1 | |
| SCHEMBL13689550 | 0.81 | JAK3 (0.59) | JAK3BTKITKMAPK1JAK2 | |
| SCHEMBL2278183 | 0.81 | JAK3 (0.59) | JAK3BTKITKMAPK1JAK2 | |
| SCHEMBL2278220 | 0.81 | JAK3 (0.59) | JAK3BTKITKMAPK1JAK2 | |
| SCHEMBL2277426 | 0.81 | JAK3 (0.59) | JAK3BTKITKMAPK1JAK2 | |
| SCHEMBL2278222 | 0.81 | JAK3 (0.59) | JAK3BTKITKMAPK1JAK2 | |
| SCHEMBL3396088 | 0.80 | JAK3 (0.42) | JAK3BTKITKMAPK1NPC1 | |
| SCHEMBL3394454 | 0.80 | JAK3 (0.41) | JAK3BTKITKMAPK1JAK2 | |
| SCHEMBL3398973 | 0.79 | JAK3 (0.40) | JAK3BTKITKMAPK1JAK2 | |
| SCHEMBL3397744 | 0.78 | NPC1 (0.41) | JAK3BTKITKMAPK1NPC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2245033-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2010-11-03 | — | — | EP | claimed |
| WO-2009106441-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-03 | — | — | WO | claimed |
| EP-2245033-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2010-11-03 | — | — | EP | disclosed |
| WO-2009106441-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-03 | — | — | WO | disclosed |