Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 8/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.53 |
| ▸ | DKK1 | O94907 | 1/20 | 0.49 |
| ▸ | GSK3B | P49841 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 5/20 | 0.49 |
| ▸ | CA1 | P00915 | 4/20 | 0.49 |
| ▸ | CA9 | Q16790 | 4/20 | 0.49 |
| ▸ | CA12 | O43570 | 3/20 | 0.49 |
| ▸ | JAK2 | O60674 | 1/20 | 0.45 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.45 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.45 |
| ▸ | CDK1 | P06493 | 2/20 | 0.45 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.45 |
| ▸ | CDK9 | P50750 | 2/20 | 0.45 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.45 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1632468 | 0.87 | MEN1 (0.55) | IKBKBMEN1NPC1KMT2ANCOA3 | |
| SCHEMBL1632691 | 0.85 | IKBKB (0.50) | IKBKBDKK1GSK3BCA2CA1 | |
| SCHEMBL1632094 | 0.84 | IKBKB (0.47) | IKBKBDKK1GSK3BCA2CA1 | |
| SCHEMBL7470673 | 0.80 | IKBKB (0.81) | IKBKBMEN1NPC1KMT2ANCOA3 | |
| SCHEMBL1633311 | 0.79 | CA2 (0.56) | IKBKBMEN1NPC1KMT2ANCOA3 | |
| SCHEMBL1633013 | 0.79 | CDK2 (0.61) | IKBKBCA2CA1CA9CCNT1 | |
| SCHEMBL1632243 | 0.79 | IKBKB (0.47) | IKBKBMEN1NPC1KMT2ANCOA3 | |
| SCHEMBL1633294 | 0.78 | CDK2 (0.65) | IKBKBCA2CA1CA9CCNT1 | |
| SCHEMBL13498353 | 0.78 | TTK (0.38) | CA2CA1CA9CA12DYRK1A | |
| SCHEMBL1633248 | 0.76 | IKBKB (0.53) | IKBKBMEN1NPC1KMT2ANCOA3 |
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 |