Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Sd-0006. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 known ✓ | Q16539 | 19/20 | 0.96 |
| ▸ | MAPK11 | Q15759 | 19/20 | 0.96 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.73 |
| ▸ | EGFR | P00533 | 1/20 | 0.73 |
| ▸ | PRKACA | P17612 | 1/20 | 0.73 |
| ▸ | FRK | P42685 | 1/20 | 0.73 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.73 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.73 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.73 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.73 |
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 | |
|---|---|---|---|---|
| Sd-0006 SCHEMBL5258003 | 0.99 | MAPK11 (0.98) | MAPK11MAPK14MAP4K4EGFRPRKACA | |
| Sd-0006 SCHEMBL4891685 | 0.98 | MAPK11 (1.00) | MAPK11MAPK14MAP4K4EGFRPRKACA | |
| SCHEMBL14411827 | 0.92 | MAPK11 (0.88) | MAPK11MAPK14MAP4K4EGFRPRKACA | |
| SCHEMBL5257721 | 0.90 | MAPK11 (1.00) | MAPK11MAPK14MAP4K4EGFRPRKACA | |
| SCHEMBL5255330 | 0.89 | MAPK11 (0.83) | MAPK11MAPK14MAP4K4EGFRPRKACA | |
| Water SCHEMBL6173865 | 0.89 | MAPK11 (0.79) | MAPK11MAPK14MAP4K4EGFRPRKACA | |
| SCHEMBL6175733 | 0.88 | MAPK11 (0.81) | MAPK11MAPK14MAP4K4EGFRPRKACA | |
| SCHEMBL5256729 | 0.88 | MAPK11 (0.80) | MAPK11MAPK14MAP4K4EGFRPRKACA | |
| Hydrochloric Acid SCHEMBL6174383 | 0.87 | MAPK11 (0.78) | MAPK11MAPK14MAP4K4EGFRPRKACA | |
| SCHEMBL5256675 | 0.86 | MAPK11 (0.79) | MAPK11MAPK14MAP4K4EGFRPRKACA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1682143-A2 | COMBINATIONS COMPRISING AN HSP90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA | Pharmacia Corporation (US) | 2006-07-26 | — | — | EP | disclosed |
| WO-2005044194-A2 | TREATMENT OR PREVENTION OF NEOPLASIA BY USE OF AN Hsp90 INHIBITOR | PHARMACIA CORPORATION (US) | 2005-05-19 | — | — | WO | disclosed |
| WO-2005041879-A2 | COMBINATIONS COMPRISING AN Hsp90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA | PHARMACIA CORPORATION (US) | 2005-05-12 | — | — | WO | disclosed |