Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 7/20 | 0.53 |
| ▸ | PIM1 | P11309 | 2/20 | 0.43 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ALOX15B | O15296 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16420652 | 0.87 | ATR (0.70) | ATRPIM1PIM2 | |
| SCHEMBL17826131 | 0.81 | ATR (0.53) | ATRALDH1A1CYP2C19MAPTKDM4E | |
| SCHEMBL17826108 | 0.81 | ATR (0.46) | ATRNPC1RAB9A | |
| SCHEMBL17826200 | 0.81 | ATR (0.51) | ATRALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL17826137 | 0.81 | ATR (0.43) | ATRCHEK1 | |
| SCHEMBL17826113 | 0.80 | ATR (0.52) | ATRCHEK1 | |
| SCHEMBL17826114 | 0.80 | ATR (0.52) | ATRPIM1PIM2NPC1RAB9A | |
| SCHEMBL17826167 | 0.79 | ATR (0.57) | ATRPIM1PIM2ALDH1A1KDM4E | |
| SCHEMBL17826182 | 0.79 | NPC1 (0.44) | ATRALDH1A1CYP2C19MAPTKDM4E | |
| SCHEMBL17826176 | 0.78 | ATR (0.55) | ATRPIM1PIM2CHEK1KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9365557-B2 | Substituted pyrazin-2-amines as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-06-14 | — | — | US | disclosed |