Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 10/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 5/20 | 0.45 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | BCL2 | P10415 | 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 | |
|---|---|---|---|---|
| SCHEMBL17826122 | 0.91 | ATR (0.59) | ATRRAB9AMEN1NPC1TP53 | |
| SCHEMBL17826117 | 0.90 | ATR (0.57) | ATRGSK3BKDM4E | |
| SCHEMBL17826116 | 0.88 | ATR (0.59) | ATRGSK3BBCL2 | |
| SCHEMBL16420464 | 0.88 | ATR (0.71) | ATRTP53MAPK1HDAC6 | |
| SCHEMBL17826158 | 0.86 | ATR (0.58) | ATRRAB9ANPC1KDM4E | |
| SCHEMBL17826113 | 0.86 | ATR (0.52) | ATR | |
| SCHEMBL17826123 | 0.85 | ATR (0.57) | ATRMAPK1PIM1PIM2 | |
| SCHEMBL17826210 | 0.85 | ATR (0.59) | ATRRAB9AMEN1TP53KMT2A | |
| SCHEMBL17826108 | 0.85 | ATR (0.46) | ATRRAB9ANPC1KMT2ASMN1; SMN2 | |
| SCHEMBL17826142 | 0.84 | ATR (0.59) | ATRTP53KDM4E |
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 |