Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIM1 | P11309 | 3/20 | 0.58 |
| ▸ | CDK2 | P24941 | 5/20 | 0.48 |
| ▸ | CDK1 | P06493 | 5/20 | 0.48 |
| ▸ | IP6K1 | Q92551 | 2/20 | 0.45 |
| ▸ | IP6K3 | Q96PC2 | 2/20 | 0.45 |
| ▸ | IP6K2 | Q9UHH9 | 2/20 | 0.45 |
| ▸ | CDC7 | O00311 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.41 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.40 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.40 |
| ▸ | ALOX5AP | P20292 | 3/20 | 0.37 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.37 |
| ▸ | SYK | P43405 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13811985 | 0.94 | PIM1 (0.60) | PIM1CDK2CDK1IP6K1IP6K3 | |
| SCHEMBL13812007 | 0.91 | PIM1 (0.52) | PIM1CDK2CDK1IP6K1IP6K3 | |
| SCHEMBL4027259 | 0.86 | PIM1 (0.67) | PIM1CDK2CDK1IP6K1IP6K3 | |
| SCHEMBL13812070 | 0.86 | PIM1 (0.54) | PIM1CDK2CDK1CDC7ROCK2 | |
| SCHEMBL4033705 | 0.83 | PIM1 (0.67) | PIM1CDK2CDK1IP6K1IP6K3 | |
| SCHEMBL13812002 | 0.82 | IP6K1 (0.41) | PIM1CDK2IP6K1IP6K3IP6K2 | |
| SCHEMBL13812031 | 0.81 | PIM1 (0.57) | PIM1CDK2CDK1IP6K1IP6K3 | |
| SCHEMBL13811881 | 0.81 | PIM1 (0.65) | PIM1CDK2CDK1IP6K1IP6K3 | |
| SCHEMBL13812003 | 0.79 | PIM1 (0.56) | PIM1CDK2CDK1IP6K1IP6K3 | |
| SCHEMBL4025115 | 0.77 | PIM1 (0.60) | PIM1CDK2CDK1IP6K1IP6K3 |
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-1399440-B1 | 5-(2-AMINOPYRIMIDIN-4-YL)BENZISOXAZOLES AS PROTEIN KINASE INHIBITORS | VERTEX PHARMA (US) | 2009-06-03 | — | — | EP | disclosed |