Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ULK1 | O75385 | 5/20 | 0.40 |
| ▸ | PTK2 | Q05397 | 4/20 | 0.39 |
| ▸ | PTK2B | Q14289 | 2/20 | 0.39 |
| ▸ | CDK1 | P06493 | 2/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.39 |
| ▸ | CDK7 | P50613 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 2/20 | 0.33 |
| ▸ | CDK9 | P50750 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | PLK1 | P53350 | 1/20 | 0.33 |
| ▸ | BCL6 | P41182 | 1/20 | 0.32 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.32 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.32 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.31 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.31 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.31 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.31 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.31 |
| ▸ | NEK2 | P51955 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17554673 | 0.91 | ULK1 (0.39) | ULK1PTK2PTK2BCDK1CCNB1 | |
| SCHEMBL10125386 | 0.85 | ULK1 (0.58) | ULK1PTK2PTK2BCDK1CCNB1 | |
| SCHEMBL670806 | 0.81 | ULK1 (0.45) | ULK1PTK2CDK2MAPK1PLK1 | |
| SCHEMBL10125467 | 0.77 | ULK1 (0.57) | ULK1PTK2PTK2BCDK1CCNB1 | |
| SCHEMBL17554669 | 0.76 | ULK1 (0.38) | ULK1PTK2NEK2 | |
| SCHEMBL669259 | 0.75 | ULK1 (0.43) | ULK1PTK2CDK2MAPK1PLK1 | |
| SCHEMBL669191 | 0.74 | PTK2 (0.43) | ULK1PTK2PTK2BCDK1CCNB1 | |
| SCHEMBL17554666 | 0.73 | ULK1 (0.49) | ULK1CDK2PLK1CDK5CDK5R1 | |
| SCHEMBL17554670 | 0.73 | ULK1 (0.68) | ULK1PTK2PTK2BCDK1CCNB1 | |
| SCHEMBL669815 | 0.72 | ULK1 (0.59) | ULK1PTK2PTK2BCDK1CCNB1 |
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 |