Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 19/20 | 0.62 |
| ▸ | CHEK1 | O14757 | 10/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | 1.00 | CHEK2 (0.62) | CHEK2CHEK1KMT2A | |
| SCHEMBL6111032 | 1.00 | CHEK2 (0.62) | CHEK2CHEK1KMT2A | |
| Hydrochloric Acid SCHEMBL4969202 | 0.99 | CHEK2 (0.61) | CHEK2CHEK1KMT2A | |
| SCHEMBL5503310 | 0.95 | CHEK2 (0.55) | CHEK2CHEK1KMT2A | |
| SCHEMBL5500532 | 0.95 | CHEK2 (0.55) | CHEK2CHEK1KMT2A | |
| SCHEMBL5500526 | 0.95 | CHEK2 (0.55) | CHEK2CHEK1KMT2A | |
| SCHEMBL5507443 | 0.94 | CHEK2 (0.56) | CHEK2CHEK1KMT2A | |
| SCHEMBL4969100 | 0.88 | CHEK2 (0.54) | CHEK2CHEK1KMT2A | |
| SCHEMBL4969097 | 0.88 | CHEK2 (0.54) | CHEK2CHEK1KMT2A | |
| SCHEMBL4970389 | 0.88 | CHEK2 (0.47) | CHEK2CHEK1 |
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 5 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 | disclosed |
| WO-2007058989-A2 | QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-05-24 | — | — | WO | disclosed |
| 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 |