Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 15/20 | 0.57 |
| ▸ | INSR | P06213 | 9/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.43 |
| ▸ | MET | P08581 | 3/20 | 0.43 |
| ▸ | IGF1R | P08069 | 1/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.42 |
| ▸ | MAPK3 | P27361 | 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 | |
|---|---|---|---|---|
| SCHEMBL886686 | 0.87 | ALK (0.75) | ALKINSRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL884964 | 0.77 | ALK (0.74) | ALKINSRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL886638 | 0.77 | ALK (0.91) | ALKINSRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2060720 | 0.76 | ALK (0.81) | ALKINSRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL886756 | 0.75 | ALK (0.71) | ALKINSRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL886668 | 0.73 | ALK (0.69) | ALKINSRMAP4K1MET | |
| SCHEMBL886481 | 0.73 | MAP4K1 (0.78) | ALKINSRMAP4K1METIGF1R | |
| SCHEMBL3233421 | 0.73 | ALK (0.63) | ALKINSRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL886352 | 0.73 | ALK (1.00) | ALKINSRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3015153 | 0.73 | ALK (0.50) | ALKINSRMAP4K1METLRRK2 |
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 |