Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.42 |
| ▸ | LRRK2 | Q5S007 | 6/20 | 0.35 |
| ▸ | MAP2K3 | P46734 | 2/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | CCNC | P24863 | 3/20 | 0.34 |
| ▸ | CDK8 | P49336 | 3/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.33 |
| ▸ | PIK3R2 | O00459 | 1/20 | 0.32 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.32 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.32 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17653242 | 0.79 | AAK1 (0.59) | AAK1KCNH2KCNA5 | |
| SCHEMBL17653357 | 0.77 | KCNH2 (0.42) | AAK1KCNH2TBK1KCNA5 | |
| SCHEMBL17653272 | 0.76 | AAK1 (0.65) | AAK1LRRK2KCNH2 | |
| SCHEMBL20505859 | 0.69 | PKN1 (0.43) | AAK1CCNCCDK8PKN1PKN2 | |
| SCHEMBL17653119 | 0.67 | ADORA3 (0.49) | AAK1 | |
| SCHEMBL17653343 | 0.67 | IKBKB (0.31) | AAK1 | |
| SCHEMBL17653267 | 0.66 | AAK1 (0.62) | AAK1LRRK2 | |
| SCHEMBL16974266 | 0.65 | MAPT (0.42) | AAK1 | |
| SCHEMBL23641196 | 0.64 | KCNH2 (0.48) | AAK1MAPK14KCNH2KCNA5 | |
| SCHEMBL30450563 | 0.63 | KDR (0.40) | LRRK2MAP2K3MAPK14CCNCCDK8 |
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-3200797-A1 | QUINAZOLINE-BASED KINASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2017-08-09 | — | — | EP | disclosed |
| WO-2016053794-A1 | QUINAZOLINE-BASED KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-04-07 | — | — | WO | disclosed |