Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 7/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | BTK | Q06187 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.34 |
| ▸ | KCNA3 | P22001 | 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 | |
|---|---|---|---|---|
| SCHEMBL18247774 | 1.00 | TSHR (0.41) | TSHRKMT2AMEN1ALDH1A1CTSK | |
| SCHEMBL28546354 | 0.86 | CTSK (0.42) | TSHRKMT2AMEN1ALDH1A1CTSK | |
| SCHEMBL18247419 | 0.86 | CTSK (0.42) | TSHRKMT2AMEN1ALDH1A1CTSK | |
| SCHEMBL18956334 | 0.86 | CTSK (0.42) | TSHRKMT2AMEN1ALDH1A1CTSK | |
| SCHEMBL29187885 | 0.86 | CTSK (0.42) | TSHRKMT2AMEN1ALDH1A1CTSK | |
| SCHEMBL25145157 | 0.85 | CTSK (0.41) | TSHRKMT2AMEN1ALDH1A1CTSK | |
| SCHEMBL1710171 | 0.81 | CTSK (0.39) | TSHRKMT2AMEN1ALDH1A1CTSK | |
| SCHEMBL1710330 | 0.81 | CTSK (0.39) | TSHRKMT2AMEN1ALDH1A1CTSK | |
| SCHEMBL18247458 | 0.81 | PDE4B (0.53) | KMT2AMEN1HSD11B1L3MBTL1PDE4B | |
| SCHEMBL18258160 | 0.81 | PDE4B (0.53) | KMT2AMEN1HSD11B1L3MBTL1PDE4B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8518952-B2 | 6 substituted 2-heterocyclylamino pyrazine compounds as CHK-1 inhibitors | PFIZER INC. (US) | 2013-08-27 | — | — | US | disclosed |
| WO-2010016005-A1 | 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS | PFIZER INC. (US) | 2010-02-11 | — | — | WO | disclosed |