Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FLT3 | P36888 | 4/20 | 0.40 |
| ▸ | CDK1 | P06493 | 2/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.40 |
| ▸ | CDK2 | P24941 | 2/20 | 0.40 |
| ▸ | CDK7 | P50613 | 1/20 | 0.40 |
| ▸ | CCNH | P51946 | 1/20 | 0.40 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.40 |
| ▸ | JAK3 | P52333 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.37 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.36 |
| ▸ | PRKCI | P41743 | 1/20 | 0.36 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.36 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3399624 | 0.92 | JAK3 (0.37) | JAK3MAPK1CYP2D6ALKPRKCI | |
| SCHEMBL3395594 | 0.91 | MAP4K1 (0.44) | FLT3CDK1CCNB1CCNE1CDK2 | |
| SCHEMBL3398973 | 0.88 | JAK3 (0.40) | FLT3CDK1CDK2JAK3MAPK1 | |
| SCHEMBL3396459 | 0.87 | MAP4K1 (0.39) | JAK3MAPK1CYP2D6MAP3K11MAP4K1 | |
| SCHEMBL3398393 | 0.87 | JAK3 (0.36) | FLT3CDK1CCNB1CCNE1CDK2 | |
| SCHEMBL3398822 | 0.86 | ITGB2 (0.39) | FLT3CDK1CCNB1CCNE1CDK2 | |
| SCHEMBL3391851 | 0.86 | MAPK1 (0.37) | JAK3MAPK1USP2CYP1A2CYP2D6 | |
| SCHEMBL3393665 | 0.86 | TTK (0.38) | CDK2CDK7JAK3MAPK1USP2 | |
| SCHEMBL3395609 | 0.85 | PRKCA (0.41) | JAK3MAPK1PIM2PRKCIMAP4K1 | |
| SCHEMBL3397048 | 0.85 | JAK3 (0.39) | FLT3JAK3MAPK1CYP2D6PRKCI |
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 |