Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 2/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | PTGES | O14684 | 1/20 | 0.32 |
| ▸ | PNMT | P11086 | 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 | |
|---|---|---|---|---|
| SCHEMBL183891 | 0.83 | KMT2A (0.42) | CHEK2 | |
| SCHEMBL1623317 | 0.76 | CHEK2 (0.51) | CHEK2 | |
| SCHEMBL13080500 | 0.76 | GRM2 (0.42) | CHEK2GRM2PTGES | |
| SCHEMBL183852 | 0.76 | PTGES (0.40) | CHEK2GRM2PTGES | |
| SCHEMBL14535760 | 0.72 | CHEK2 (0.53) | CHEK2 | |
| SCHEMBL13769242 | 0.72 | CHEK2 (0.52) | CHEK2 | |
| SCHEMBL13769484 | 0.71 | HRH4 (0.55) | CHEK2 | |
| SCHEMBL5507375 | 0.71 | CHEK2 (0.41) | CHEK2GRM2 | |
| SCHEMBL4972794 | 0.69 | CHEK2 (0.45) | CHEK2GRM2 | |
| SCHEMBL5503499 | 0.69 | CHEK2 (0.45) | CHEK2GRM2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1957482-A2 | QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS | Vertex Pharmaceuticals, Inc. (US) | 2008-08-20 | — | — | EP | claimed |
| WO-2007058989-A2 | QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-05-24 | — | — | WO | claimed |
| EP-1957482-A2 | QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS | Vertex Pharmaceuticals, Inc. (US) | 2008-08-20 | — | — | EP | disclosed |
| WO-2007058989-A2 | QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-05-24 | — | — | WO | disclosed |