Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 17/20 | 0.56 |
| ▸ | CHEK1 | O14757 | 8/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5505763 | 0.94 | CHEK2 (0.62) | CHEK2CHEK1KMT2A | |
| SCHEMBL6111032 | 0.94 | CHEK2 (0.62) | CHEK2CHEK1KMT2A | |
| SCHEMBL4968971 | 0.94 | CHEK2 (0.62) | CHEK2CHEK1KMT2A | |
| Hydrochloric Acid SCHEMBL4969202 | 0.94 | CHEK2 (0.61) | CHEK2CHEK1KMT2A | |
| SCHEMBL5500526 | 0.89 | CHEK2 (0.55) | CHEK2CHEK1KMT2A | |
| SCHEMBL5500532 | 0.89 | CHEK2 (0.55) | CHEK2CHEK1KMT2A | |
| SCHEMBL5503310 | 0.89 | CHEK2 (0.55) | CHEK2CHEK1KMT2A | |
| SCHEMBL5505292 | 0.87 | CHEK2 (0.49) | CHEK2CHEK1KMT2AMEN1 | |
| SCHEMBL5507375 | 0.85 | CHEK2 (0.41) | CHEK2CHEK1KMT2AMEN1CYP1A2 | |
| SCHEMBL5503389 | 0.83 | CHEK2 (0.45) | CHEK2CHEK1KMT2AMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1784393-A1 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | Vertex Pharmaceuticals Incorporated (US) | 2007-05-16 | — | — | EP | disclosed |
| WO-2006028904-A9 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMA (US) | 2006-06-22 | — | — | WO | disclosed |
| WO-2006028904-A1 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-03-16 | — | — | WO | disclosed |