Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 16/20 | 0.57 |
| ▸ | BTK | Q06187 | 9/20 | 0.57 |
| ▸ | ITK | Q08881 | 9/20 | 0.54 |
| ▸ | JAK3 | P52333 | 3/20 | 0.47 |
| ▸ | JAK2 | O60674 | 1/20 | 0.46 |
| ▸ | LYN | P07948 | 1/20 | 0.46 |
| ▸ | TEC | P42680 | 1/20 | 0.46 |
| ▸ | TXK | P42681 | 1/20 | 0.46 |
| ▸ | BMX | P51813 | 1/20 | 0.46 |
| ▸ | CD69 | Q07108 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL17252102 | 0.87 | EGFR (0.61) | EGFRBTKITKJAK3JAK2 | |
| SCHEMBL17242422 | 0.84 | NPC1 (0.41) | EGFRBTKITKJAK3JAK2 | |
| SCHEMBL17242472 | 0.84 | EGFR (0.59) | EGFRBTKITKJAK3JAK2 | |
| SCHEMBL17242158 | 0.82 | PIN1 (0.41) | EGFRBTKJAK2 | |
| SCHEMBL17242410 | 0.80 | EGFR (0.57) | EGFRBTKITKJAK3JAK2 | |
| SCHEMBL17242125 | 0.77 | EGFR (0.54) | EGFRBTKITKJAK3 | |
| SCHEMBL17242380 | 0.76 | EGFR (0.50) | EGFRBTKITKJAK3JAK2 | |
| SCHEMBL13165513 | 0.76 | EGFR (0.86) | EGFRBTKITKJAK3JAK2 | |
| SCHEMBL17252209 | 0.74 | EGFR (0.48) | EGFRITKJAK2 | |
| SCHEMBL17252167 | 0.74 | EGFR (0.49) | EGFRBTKITK |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015170266-A1 | SUBSTITUTED PYRIMIDINE COMPOUNDS AS BTK INHIBITORS | LUPIN LIMITED (IN) | 2015-11-12 | — | — | WO | disclosed |
| WO-2015170266-A1 | SUBSTITUTED PYRIMIDINE COMPOUNDS AS BTK INHIBITORS | LUPIN LIMITED (IN) | 2015-11-12 | — | — | WO | disclosed |