Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 5/20 | 0.46 |
| ▸ | GSK3A | P49840 | 4/20 | 0.46 |
| ▸ | AURKA | O14965 | 4/20 | 0.46 |
| ▸ | SRC | P12931 | 2/20 | 0.46 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.46 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.46 |
| ▸ | TGFBR1 | P36897 | 5/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL27592459 | 0.83 | GSK3B (0.48) | GSK3BGSK3AAURKASRCAURKB | |
| SCHEMBL802114 | 0.82 | AURKA (0.69) | GSK3BGSK3AAURKASRCAURKB | |
| SCHEMBL786402 | 0.82 | GSK3B (0.65) | GSK3BGSK3AAURKASRCAURKB | |
| SCHEMBL801821 | 0.81 | GSK3B (0.69) | GSK3BGSK3AAURKASRCAURKB | |
| SCHEMBL786265 | 0.81 | GSK3B (0.68) | GSK3BGSK3AAURKASRCAURKB | |
| SCHEMBL786318 | 0.80 | GSK3B (0.62) | GSK3BGSK3AAURKASRCAURKB | |
| SCHEMBL786285 | 0.80 | AURKA (0.69) | GSK3BGSK3AAURKASRCAURKB | |
| SCHEMBL786854 | 0.79 | CYP1A2 (0.60) | GSK3BGSK3AAURKASRCAURKB | |
| SCHEMBL786683 | 0.79 | GSK3B (0.49) | GSK3BGSK3AAURKASRCAURKB | |
| SCHEMBL785492 | 0.78 | GSK3B (0.54) | GSK3BGSK3AAURKASRCAURKB |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8343980-B2 | Quinazoles useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-01-01 | — | — | US | disclosed |
| US-8343980-B2 | Quinazoles useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-01-01 | — | — | US | disclosed |
| US-8153642-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-04-10 | — | — | US | disclosed |
| US-8153642-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-04-10 | — | — | US | disclosed |
| US-7713983-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-05-11 | — | — | US | disclosed |
| US-7713983-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-05-11 | — | — | US | disclosed |
| US-7678802-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-03-16 | — | — | US | disclosed |
| US-7678802-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-03-16 | — | — | US | disclosed |