Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 9/20 | 0.47 |
| ▸ | CHUK | O15111 | 4/20 | 0.47 |
| ▸ | AKT1 | P31749 | 1/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | JAK1 | P23458 | 1/20 | 0.42 |
| ▸ | TYK2 | P29597 | 1/20 | 0.42 |
| ▸ | JAK3 | P52333 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.41 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1632574 | 0.92 | CA1 (0.47) | IKBKBCHUKAKT1ROCK1JAK2 | |
| SCHEMBL1632401 | 0.91 | IKBKB (0.52) | IKBKBCHUKAKT1ROCK1JAK2 | |
| SCHEMBL1631355 | 0.88 | IKBKB (0.45) | IKBKBCHUKAKT1ROCK1JAK2 | |
| SCHEMBL1633309 | 0.88 | IKBKB (0.44) | IKBKBCHUKAKT1ROCK1JAK2 | |
| SCHEMBL1634447 | 0.88 | IKBKB (0.49) | IKBKBCHUKAKT1ROCK1JAK2 | |
| SCHEMBL1632495 | 0.87 | IKBKB (0.45) | IKBKBCHUKAKT1ROCK1JAK2 | |
| SCHEMBL1632587 | 0.87 | IKBKB (0.43) | IKBKBCHUKAKT1ROCK1JAK2 | |
| SCHEMBL1634265 | 0.87 | IKBKB (0.45) | IKBKBCHUKAKT1ROCK1JAK2 | |
| SCHEMBL1632714 | 0.86 | CA1 (0.43) | IKBKBCHUKAKT1ROCK1JAK2 | |
| SCHEMBL1633008 | 0.86 | CDK1 (0.46) | IKBKBCHUKAKT1ROCK1JAK2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7932262-B2 | Quinazolines for PDK1 inhibition | NOVARTIS AG (CH) | 2011-04-26 | — | — | US | disclosed |
| US-7932262-B2 | Quinazolines for PDK1 inhibition | NOVARTIS AG (CH) | 2011-04-26 | — | — | US | disclosed |
| US-7932262-B2 | Quinazolines for PDK1 inhibition | NOVARTIS AG (CH) | 2011-04-26 | — | — | US | disclosed |