Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 18/20 | 0.54 |
| ▸ | EGFR | P00533 | 5/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.54 |
| ▸ | TEC | P42680 | 1/20 | 0.45 |
| ▸ | BMX | P51813 | 1/20 | 0.45 |
| ▸ | CD69 | Q07108 | 1/20 | 0.45 |
| ▸ | ITK | Q08881 | 1/20 | 0.45 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.45 |
| ▸ | GP6 | Q9HCN6 | 1/20 | 0.45 |
| ▸ | NUDT5 | Q9UKK9 | 1/20 | 0.45 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.42 |
| ▸ | TTBK1 | Q5TCY1 | 1/20 | 0.41 |
| ▸ | TTBK2 | Q6IQ55 | 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 | |
|---|---|---|---|---|
| SCHEMBL14165524 | 0.84 | BTK (0.60) | BTKEGFRKCNH2TECBMX | |
| SCHEMBL18557511 | 0.83 | BTK (0.59) | BTKEGFRKCNH2TECBMX | |
| SCHEMBL14165452 | 0.83 | BTK (0.54) | BTKEGFRKCNH2TECBMX | |
| SCHEMBL14165490 | 0.81 | BTK (0.54) | BTKEGFRKCNH2TECBMX | |
| SCHEMBL14165613 | 0.80 | BTK (0.56) | BTKEGFRKCNH2TECBMX | |
| SCHEMBL14165610 | 0.80 | BTK (0.56) | BTKEGFRKCNH2TECBMX | |
| SCHEMBL27968935 | 0.80 | BTK (0.55) | BTKEGFRKCNH2TECBMX | |
| SCHEMBL18557510 | 0.80 | BTK (0.65) | BTKEGFRKCNH2TECBMX | |
| SCHEMBL14165388 | 0.80 | BTK (0.53) | BTKEGFRKCNH2TECBMX | |
| SCHEMBL28129940 | 0.78 | EGFR (0.40) | EGFRERBB4TTBK1TTBK2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106831732-A | The composition and method of pyrimidine and pyridine compounds of the production with BTK inhibitory activity | 默克专利有限公司 | 2017-06-13 | — | — | CN | disclosed |
| CN-103814016-B | Compositions and methods for producing pyrimidine and pyridine compounds having BTK inhibitory activity | 默克专利有限公司 | 2017-03-08 | — | — | CN | disclosed |
| CN-103814016-A | Compositions and methods for producing pyrimidine and pyridine compounds having BTK inhibitory activity | MERCK PATENT GMBH | 2014-05-21 | — | — | CN | disclosed |