Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TNK2 | Q07912 | 8/20 | 0.45 |
| ▸ | CDK2 | P24941 | 3/20 | 0.44 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.44 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.41 |
| ▸ | IKBKB | O14920 | 2/20 | 0.41 |
| ▸ | SYK | P43405 | 2/20 | 0.41 |
| ▸ | CDK1 | P06493 | 2/20 | 0.41 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.40 |
| ▸ | CDK7 | P50613 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1632503 | 0.80 | CDK2 (0.46) | CDK2CCNA2IKBKBSYKCDK1 | |
| SCHEMBL1632121 | 0.80 | SYK (0.45) | CDK2IKBKBSYKCDK1CCNE1 | |
| SCHEMBL13498245 | 0.80 | CDK2 (0.48) | CDK2CCNA2CCNA1IKBKBCDK1 | |
| SCHEMBL1634500 | 0.79 | SYK (0.49) | CDK2CCNA2CCNA1IKBKBSYK | |
| SCHEMBL1633586 | 0.78 | CA1 (0.51) | CDK2IKBKBSYKCDK1CA1 | |
| SCHEMBL1633321 | 0.77 | CA1 (0.48) | CDK2CCNA2IKBKBCDK1CCNE1 | |
| SCHEMBL1632328 | 0.77 | CA2 (0.50) | CDK2CCNA2CCNA1IKBKBCDK1 | |
| SCHEMBL16453393 | 0.77 | TNK2 (0.75) | TNK2CDK2SYKCDK1CCNE1 | |
| SCHEMBL1633835 | 0.76 | IKBKB (0.47) | CDK2CCNA2IKBKBCDK1CCNE1 | |
| Hydrochloric Acid SCHEMBL16445900 | 0.76 | TNK2 (0.74) | ALDH1A1TNK2CDK2CDK1CCNE1 |
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 |