Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 5/20 | 0.57 |
| ▸ | CDC7 | O00311 | 8/20 | 0.48 |
| ▸ | CCNE1 | P24864 | 8/20 | 0.48 |
| ▸ | CDK2 | P24941 | 8/20 | 0.48 |
| ▸ | DBF4 | Q9UBU7 | 8/20 | 0.48 |
| ▸ | QPCT | Q16769 | 1/20 | 0.40 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.39 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL17826162 | 0.90 | ATR (0.59) | ATRCDC7CCNE1CDK2DBF4 | |
| SCHEMBL16420471 | 0.88 | ATR (0.73) | ATRCDC7CCNE1CDK2DBF4 | |
| SCHEMBL17826112 | 0.85 | ATR (0.55) | ATRPIM1PIM2MAPK1 | |
| SCHEMBL17826113 | 0.83 | ATR (0.52) | ATR | |
| SCHEMBL17826210 | 0.82 | ATR (0.59) | ATRALDH1A1USP2 | |
| SCHEMBL17826108 | 0.82 | ATR (0.46) | ATR | |
| SCHEMBL17826205 | 0.81 | ATR (0.42) | ATR | |
| SCHEMBL17826204 | 0.80 | ATR (0.56) | ATRALDH1A1 | |
| SCHEMBL17826158 | 0.80 | ATR (0.58) | ATRCYP1A2HSD17B10ALDH1A1 | |
| SCHEMBL16420574 | 0.79 | ATR (0.73) | ATRCYP1A2HSD17B10ALDH1A1CYP2D6 |
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 |