Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ULK1 | O75385 | 4/20 | 0.45 |
| ▸ | PTK2 | Q05397 | 4/20 | 0.38 |
| ▸ | NEK2 | P51955 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | USP2 | O75604 | 2/20 | 0.35 |
| ▸ | CASP1 | P29466 | 2/20 | 0.35 |
| ▸ | CASP7 | P55210 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.34 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL669259 | 0.91 | ULK1 (0.43) | ULK1PTK2NEK2LMNACYP1A2 | |
| SCHEMBL669815 | 0.89 | ULK1 (0.59) | ULK1PTK2 | |
| SCHEMBL17554669 | 0.83 | ULK1 (0.38) | ULK1PTK2NEK2KDR | |
| SCHEMBL17554666 | 0.82 | ULK1 (0.49) | ULK1NEK2CYP1A2CYP3A4USP2 | |
| SCHEMBL669223 | 0.81 | ULK1 (0.40) | ULK1PTK2NEK2LMNACDK2 | |
| SCHEMBL17554670 | 0.81 | ULK1 (0.68) | ULK1PTK2 | |
| SCHEMBL10125258 | 0.79 | ULK1 (0.67) | ULK1PTK2 | |
| SCHEMBL17554664 | 0.75 | ULK1 (0.37) | ULK1PTK2NEK2CCNA2CDK2 | |
| SCHEMBL15033860 | 0.72 | ULK1 (0.56) | ULK1PTK2PLK1 | |
| SCHEMBL17554673 | 0.72 | ULK1 (0.39) | ULK1PTK2NEK2LMNACCNA2 |
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 |