Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTK2 | Q05397 | 5/20 | 0.43 |
| ▸ | ULK1 | O75385 | 3/20 | 0.43 |
| ▸ | PTK2B | Q14289 | 2/20 | 0.43 |
| ▸ | CDK1 | P06493 | 1/20 | 0.43 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.43 |
| ▸ | CDK7 | P50613 | 1/20 | 0.43 |
| ▸ | EPHB4 | P54760 | 7/20 | 0.42 |
| ▸ | NEK2 | P51955 | 1/20 | 0.36 |
| ▸ | SYK | P43405 | 2/20 | 0.35 |
| ▸ | JAK2 | O60674 | 2/20 | 0.34 |
| ▸ | JAK3 | P52333 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | LCK | P06239 | 1/20 | 0.34 |
| ▸ | MET | P08581 | 1/20 | 0.34 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.34 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.34 |
| ▸ | FLT1 | P17948 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10125506 | 0.83 | ULK1 (0.62) | PTK2ULK1PTK2BCDK1CCNB1 | |
| SCHEMBL670058 | 0.79 | PTK2 (0.40) | PTK2PTK2BNEK2JAK2JAK3 | |
| SCHEMBL670217 | 0.78 | PTK2 (0.46) | PTK2PTK2BCDK1CDK7JAK2 | |
| SCHEMBL669786 | 0.76 | PTK2 (0.51) | PTK2CDK1CCNB1CDK7EPHB4 | |
| SCHEMBL17554673 | 0.75 | ULK1 (0.39) | PTK2ULK1PTK2BCDK1CCNB1 | |
| SCHEMBL669223 | 0.74 | ULK1 (0.40) | PTK2ULK1PTK2BCDK1CCNB1 | |
| SCHEMBL17554666 | 0.69 | ULK1 (0.49) | ULK1NEK2KDRCDK5 | |
| SCHEMBL5184825 | 0.68 | PTK2 (0.74) | PTK2ULK1PTK2BCDK1CCNB1 | |
| SCHEMBL5881417 | 0.67 | PTK2 (0.54) | PTK2ULK1PTK2BCDK1CCNB1 | |
| SCHEMBL17554670 | 0.67 | ULK1 (0.68) | PTK2ULK1PTK2BCDK1CCNB1 |
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-2606034-B1 | PYRIMIDINE DERIVATIVE AS FAK INHIBITORS | MERCK PATENT GMBH (DE) | 2016-03-09 | — | — | EP | claimed |
| EP-2606034-A1 | PYRIMIDINE DERIVATIVES AS FAK INHIBITORS | Merck Patent GmbH (DE) | 2013-06-26 | — | — | EP | claimed |
| WO-2012022408-A1 | PYRIMIDINE DERIVATIVES AS FAK INHIBITORS | MERCK PATENT GMBH (DE) | 2012-02-23 | — | — | WO | claimed |
| EP-2606034-B1 | PYRIMIDINE DERIVATIVE AS FAK INHIBITORS | MERCK PATENT GMBH (DE) | 2016-03-09 | — | — | EP | disclosed |