Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 2/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.38 |
| ▸ | ATR | Q13535 | 3/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | DCK | P27707 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.37 |
| ▸ | BTK | Q06187 | 4/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.36 |
| ▸ | KIT | P10721 | 1/20 | 0.35 |
| ▸ | FLT3 | P36888 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12875178 | 0.89 | BTK (0.38) | KDRATRBTK | |
| SCHEMBL6116157 | 0.83 | NPC1 (0.53) | KDRATRAURKAPDPK1AURKB | |
| SCHEMBL6115930 | 0.74 | BTK (0.67) | AURKAPDPK1AURKBBTKNPC1 | |
| SCHEMBL12874717 | 0.72 | BTK (0.46) | BTK | |
| SCHEMBL12874549 | 0.72 | PDPK1 (0.39) | AURKAPDPK1AURKBBTKMAPK14 | |
| SCHEMBL6116478 | 0.72 | BTK (0.64) | BTK | |
| SCHEMBL6115982 | 0.72 | BTK (0.56) | BTKKITFLT3 | |
| SCHEMBL6115598 | 0.70 | BTK (0.58) | KDRAURKAAURKBBTKKIT | |
| SCHEMBL6115612 | 0.69 | BTK (0.57) | ATRBTK | |
| SCHEMBL6115795 | 0.68 | BTK (0.54) | AURKAPDPK1AURKBBTKNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011019780-A1 | AZAINDAZOLES AS BTK KINASE MODULATORS AND USE THEREOF | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-02-17 | — | — | WO | disclosed |