Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.43 |
| ▸ | CDC42BPB | Q9Y5S2 | 2/20 | 0.43 |
| ▸ | MET | P08581 | 2/20 | 0.41 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.41 |
| ▸ | MAP3K12 | Q12852 | 6/20 | 0.38 |
| ▸ | IP6K1 | Q92551 | 5/20 | 0.38 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | JAK3 | P52333 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18891802 | 0.98 | ROCK2 (0.45) | ROCK2ROCK1CDC42BPBMETCDC42BPA | |
| SCHEMBL21557641 | 0.88 | MAPK1 (0.48) | METMAP3K12MAPK1 | |
| SCHEMBL21557918 | 0.87 | MAPK1 (0.45) | METMAP3K12CHRNB2CHRNA4MAPK1 | |
| SCHEMBL18892042 | 0.87 | MAP4K1 (0.47) | METMAP3K12MAPK1 | |
| SCHEMBL18860544 | 0.81 | BRD4 (0.41) | IP6K1IP6K3CHRNB2CHRNA4MAPK1 | |
| SCHEMBL18892032 | 0.81 | MAP3K12 (0.38) | METMAP3K12CHRNB2CHRNA4MAPK1 | |
| SCHEMBL18891996 | 0.81 | MAPK1 (0.48) | METMAP3K12MAPK1KDM4E | |
| SCHEMBL21557922 | 0.80 | BRD4 (0.40) | ROCK2ROCK1CDC42BPBMETIP6K1 | |
| SCHEMBL16343917 | 0.80 | GSK3B (0.47) | ROCK2ROCK1CDC42BPBCDC42BPAIP6K1 | |
| SCHEMBL18860555 | 0.80 | BRD4 (0.40) | ROCK2ROCK1CDC42BPBMETIP6K1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3377491-B1 | AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS | AGV DISCOVERY (FR) | 2019-11-13 | — | — | EP | disclosed |
| EP-3170822-A1 | AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS | AGV Discovery (FR) | 2017-05-24 | — | — | EP | disclosed |