Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.52 |
| ▸ | ERBB3 | P21860 | 2/20 | 0.52 |
| ▸ | IKBKB | O14920 | 3/20 | 0.52 |
| ▸ | STK4 | Q13043 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | CA9 | Q16790 | 3/20 | 0.48 |
| ▸ | CDK2 | P24941 | 3/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | PTK2 | Q05397 | 3/20 | 0.47 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.45 |
| ▸ | CDK1 | P06493 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1633814 | 0.86 | EGFR (0.55) | EGFRERBB3IKBKBSTK4CA1 | |
| SCHEMBL1633419 | 0.84 | NTRK1 (0.44) | EGFRIKBKBCA1CA2CA9 | |
| SCHEMBL1633446 | 0.82 | IKBKB (0.56) | EGFRERBB3IKBKBSTK4CA1 | |
| SCHEMBL1632971 | 0.81 | NTRK1 (0.42) | IKBKBCA1CA2CA9CDK2 | |
| SCHEMBL1632931 | 0.81 | CA2 (0.50) | IKBKBCA1CA2CA9CDK2 | |
| SCHEMBL1634688 | 0.80 | RXFP1 (0.45) | EGFRCA1CA2CA9CDK2 | |
| SCHEMBL1632411 | 0.79 | CDK2 (0.41) | IKBKBCA1CA2CA9CDK2 | |
| SCHEMBL1633821 | 0.79 | STK4 (0.52) | EGFRERBB3IKBKBSTK4CA1 | |
| SCHEMBL1633872 | 0.79 | CDK2 (0.52) | IKBKBSTK4CA1CA2CA9 | |
| SCHEMBL1634182 | 0.79 | CA1 (0.60) | IKBKBSTK4CA1CA2CA9 |
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 2 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 |