Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K5 | Q99683 | 2/20 | 0.42 |
| ▸ | BRAF | P15056 | 12/20 | 0.34 |
| ▸ | ACACB | O00763 | 1/20 | 0.34 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.32 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.32 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.32 |
| ▸ | PRKCG | P05129 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | PRKACA | P17612 | 1/20 | 0.32 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | AKT2 | P31751 | 1/20 | 0.32 |
| ▸ | FLT4 | P35916 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | FLT3 | P36888 | 1/20 | 0.32 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1907985 | 1.00 | MAP3K5 (0.42) | MAP3K5BRAFACACBMAP4K1ROCK2 | |
| SCHEMBL1572760 | 0.87 | FGFR1 (0.36) | BRAFACACBMAP4K1KDR | |
| SCHEMBL1572761 | 0.87 | FGFR1 (0.36) | BRAFACACBMAP4K1KDR | |
| SCHEMBL1571733 | 0.77 | BRAF (0.39) | BRAFACACBMAP4K1 | |
| SCHEMBL1571735 | 0.77 | BRAF (0.39) | BRAFACACBMAP4K1 | |
| SCHEMBL3504879 | 0.77 | MAP3K5 (0.66) | MAP3K5BRAFMAP4K1ROCK2DYRK1A | |
| SCHEMBL13336150 | 0.73 | BRAF (0.39) | BRAF | |
| SCHEMBL1573464 | 0.72 | MAP4K1 (0.38) | BRAFMAP4K1CDK2KDRMAPK8 | |
| SCHEMBL1571415 | 0.72 | MAP4K1 (0.38) | BRAFMAP4K1CDK2KDRMAPK8 | |
| SCHEMBL1571784 | 0.69 | MAP4K1 (0.38) | ACACBMAP4K1CDK2FLT4KDR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008079988-A9 | QUINAZOLINES FOR PDK1 INHIBITION | NOVARTIS AG (CH) | 2011-05-12 | — | — | WO | disclosed |