Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.55 |
| ▸ | CA2 | P00918 | 5/20 | 0.55 |
| ▸ | CA9 | Q16790 | 5/20 | 0.55 |
| ▸ | IKBKB | O14920 | 4/20 | 0.51 |
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
| ▸ | DKK1 | O94907 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.44 |
| ▸ | CA4 | P22748 | 2/20 | 0.44 |
| ▸ | JUN | P05412 | 1/20 | 0.44 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 4/20 | 0.44 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.44 |
| ▸ | CDK1 | P06493 | 3/20 | 0.44 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.44 |
| ▸ | CDK9 | P50750 | 3/20 | 0.44 |
| ▸ | CDK7 | P50613 | 1/20 | 0.44 |
| ▸ | CCNH | P51946 | 1/20 | 0.44 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.44 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1633891 | 0.85 | IKBKB (0.54) | CA1CA2CA9IKBKBCA12 | |
| SCHEMBL1631328 | 0.85 | IKBKB (0.54) | CA1CA2CA9IKBKBCA12 | |
| SCHEMBL1632143 | 0.84 | MAP4K1 (0.58) | CA1CA2CA9IKBKBDKK1 | |
| SCHEMBL1634389 | 0.84 | IKBKB (0.49) | CA1CA2CA9IKBKBCA12 | |
| SCHEMBL1633099 | 0.83 | IKBKB (0.65) | CA1CA2CA9IKBKBCA12 | |
| SCHEMBL1631337 | 0.83 | CA1 (0.48) | CA1CA2CA9IKBKBCA12 | |
| SCHEMBL1633611 | 0.82 | SYK (0.54) | CA2CA9IKBKBDKK1GSK3B | |
| SCHEMBL1633521 | 0.82 | BRAF (0.54) | IKBKBDKK1GSK3BMAPK10MAPK8 | |
| SCHEMBL1634526 | 0.81 | CA1 (0.50) | CA1CA2CA9IKBKBCA12 | |
| SCHEMBL1632940 | 0.81 | PTK2 (0.56) | IKBKBDKK1GSK3BMAPK10MAPK8 |
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 |