Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 4/20 | 0.63 |
| ▸ | CDK4 | P11802 | 3/20 | 0.54 |
| ▸ | CCND1 | P24385 | 3/20 | 0.54 |
| ▸ | CCND2 | P30279 | 2/20 | 0.54 |
| ▸ | CCND3 | P30281 | 2/20 | 0.54 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 8/20 | 0.45 |
| ▸ | CA1 | P00915 | 6/20 | 0.45 |
| ▸ | CA9 | Q16790 | 6/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CDK2 | P24941 | 4/20 | 0.43 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.43 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.43 |
| ▸ | IGF1R | P08069 | 1/20 | 0.43 |
| ▸ | CDK1 | P06493 | 3/20 | 0.43 |
| ▸ | CDK9 | P50750 | 3/20 | 0.43 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.43 |
| ▸ | CDK7 | P50613 | 2/20 | 0.43 |
| ▸ | CCNH | P51946 | 2/20 | 0.43 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1633099 | 0.84 | IKBKB (0.65) | IKBKBCDK4CCND1CCND2CCND3 | |
| SCHEMBL27780313 | 0.80 | IKBKB (0.50) | IKBKBCDK4CCND1FGFR1CA2 | |
| SCHEMBL1633533 | 0.79 | IKBKB (0.44) | IKBKBCDK4CCND1CCND3CA2 | |
| SCHEMBL1634724 | 0.79 | IKBKB (0.62) | IKBKBCA2CA1CA9CA12 | |
| SCHEMBL1571219 | 0.78 | IKBKB (0.48) | IKBKBCA2CA1CA9CA12 | |
| SCHEMBL29576177 | 0.78 | CDK4 (0.58) | IKBKBCDK4CCND1CCND2CCND3 | |
| SCHEMBL1633690 | 0.78 | IKBKB (0.57) | IKBKBCA2CA1CA9CA12 | |
| SCHEMBL1633527 | 0.77 | IKBKB (0.51) | IKBKBCDK4CCND1CA2CA1 | |
| SCHEMBL1633261 | 0.77 | IKBKB (0.55) | IKBKBCA2CA1CA9CA12 | |
| SCHEMBL1633891 | 0.76 | IKBKB (0.54) | IKBKBCDK4CCND1CCND3CA2 |
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 |