Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 20/20 | 0.64 |
| ▸ | INSR | P06213 | 7/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | EGFR | P00533 | 1/20 | 0.47 |
| ▸ | ROS1 | P08922 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2942992 | 0.91 | ALK (0.63) | ALKINSRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL886227 | 0.88 | ALK (0.82) | ALKINSRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL886254 | 0.82 | ALK (0.81) | ALKINSRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL886228 | 0.79 | ALK (0.81) | ALKINSRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3005855 | 0.78 | ALK (0.58) | ALKINSRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL886457 | 0.78 | ALK (1.00) | ALKINSRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL886560 | 0.78 | ALK (0.78) | ALKINSRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL886162 | 0.77 | ALK (0.93) | ALKINSR | |
| SCHEMBL885789 | 0.74 | ALK (0.84) | ALKINSRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL18875050 | 0.74 | ALK (1.00) | ALKINSR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2222647-A1 | FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS | Cephalon, Inc. (US) | 2010-09-01 | — | — | EP | disclosed |
| WO-2008051547-A1 | FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS | CEPHALON, INC. (US) | 2008-05-02 | — | — | WO | disclosed |