Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.56 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.49 |
| ▸ | PIM1 | P11309 | 17/20 | 0.47 |
| ▸ | PIM3 | Q86V86 | 14/20 | 0.47 |
| ▸ | PIM2 | Q9P1W9 | 14/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2729391 | 0.88 | CHEK1 (0.52) | CHEK1IRAK4PIM1PIM3PIM2 | |
| SCHEMBL2726075 | 0.88 | CHEK1 (0.54) | CHEK1PIM1PIM3PIM2 | |
| SCHEMBL2733103 | 0.87 | PIM1 (0.49) | PIM1PIM3PIM2 | |
| SCHEMBL2728519 | 0.87 | PIM1 (0.49) | PIM1PIM3PIM2 | |
| SCHEMBL18600011 | 0.87 | CHEK1 (0.75) | CHEK1 | |
| SCHEMBL2732276 | 0.85 | PIM2 (0.60) | CHEK1IRAK4PIM1PIM3PIM2 | |
| SCHEMBL2732278 | 0.85 | PIM2 (0.60) | CHEK1IRAK4PIM1PIM3PIM2 | |
| SCHEMBL2732684 | 0.84 | PIM1 (0.47) | PIM1PIM3PIM2 | |
| SCHEMBL2727225 | 0.83 | PIM1 (0.47) | PIM1PIM3PIM2 | |
| SCHEMBL2727132 | 0.83 | PIM1 (0.46) | CHEK1PIM1PIM3PIM2 |
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-2632462-A1 | NOVEL HETEROARYL-CARBOXAMIDE DERIVATIVES AS PDK1 INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2013-09-04 | — | — | EP | claimed |
| WO-2012058176-A1 | NOVEL HETEROARYL-CARBOXAMIDE DERIVATIVES AS PDK1 INHIBITORS | SCHERING CORPORATION (US) | 2012-05-03 | — | — | WO | claimed |
| EP-2632462-A1 | NOVEL HETEROARYL-CARBOXAMIDE DERIVATIVES AS PDK1 INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2013-09-04 | — | — | EP | disclosed |
| WO-2012058176-A1 | NOVEL HETEROARYL-CARBOXAMIDE DERIVATIVES AS PDK1 INHIBITORS | SCHERING CORPORATION (US) | 2012-05-03 | — | — | WO | disclosed |