Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 11/20 | 0.60 |
| ▸ | AURKB | Q96GD4 | 6/20 | 0.56 |
| ▸ | PARP1 | P09874 | 4/20 | 0.46 |
| ▸ | FYN | P06241 | 2/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.42 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.42 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.42 |
| ▸ | RET | P07949 | 1/20 | 0.42 |
| ▸ | HCK | P08631 | 1/20 | 0.42 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.42 |
| ▸ | FLT4 | P35916 | 1/20 | 0.42 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.42 |
| ▸ | SIK1 | P57059 | 1/20 | 0.42 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.42 |
| ▸ | WNK3 | Q9BYP7 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.41 |
| ▸ | CDK9 | P50750 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13680303 | 0.85 | AURKA (0.67) | AURKAAURKBPARP1MAPK13CHEK2 | |
| SCHEMBL16011993 | 0.85 | MAPK14 (0.48) | AURKAFYNEGFRMAP4K4 | |
| SCHEMBL12846620 | 0.85 | AURKA (0.63) | AURKAAURKBPARP1MAPK13CHEK2 | |
| SCHEMBL12846389 | 0.85 | AURKA (0.53) | AURKAAURKBPARP1MAPK13CHEK2 | |
| SCHEMBL6516063 | 0.85 | AURKA (0.60) | AURKAAURKBPARP1 | |
| SCHEMBL12846359 | 0.85 | AURKA (0.54) | AURKAAURKBPARP1CHEK2RET | |
| SCHEMBL6517814 | 0.81 | MEN1 (0.58) | AURKAAURKBBRD4 | |
| SCHEMBL12846626 | 0.81 | PTK6 (0.51) | AURKAAURKBPARP1CHEK2RET | |
| SCHEMBL12846493 | 0.79 | AURKA (0.50) | AURKAAURKBMAPK13CHEK2NTRK1 | |
| SCHEMBL6531867 | 0.77 | AURKA (0.57) | AURKAAURKBPARP1MAPK13CHEK2 |
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-2254889-B1 | PROTEIN KINASE INHIBITORS AND USE THEREOF | MERCK PATENT GMBH (DE) | 2012-12-19 | — | — | EP | disclosed |
| WO-2009108670-A1 | PROTEIN KINASE INHIBITORS AND USE THEREOF | MERCK SERONO S.A. (CH) | 2009-09-03 | — | — | WO | disclosed |