Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 12/20 | 1.00 |
| ▸ | TEK | Q02763 | 11/20 | 1.00 |
| ▸ | LCK | P06239 | 9/20 | 1.00 |
| ▸ | KDR | P35968 | 13/20 | 0.75 |
| ▸ | RAF1 | P04049 | 2/20 | 0.62 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.53 |
| ▸ | CSF1R | P07333 | 1/20 | 0.44 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.44 |
| ▸ | DDR2 | Q16832 | 1/20 | 0.44 |
| ▸ | FLT1 | P17948 | 3/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4792941 | 0.91 | TEK (0.83) | BRAFTEKLCKKDRRAF1 | |
| SCHEMBL11889277 | 0.88 | TEK (0.79) | BRAFTEKLCKKDRRAF1 | |
| SCHEMBL11888965 | 0.87 | TEK (0.78) | BRAFTEKLCKKDRRAF1 | |
| SCHEMBL11889293 | 0.87 | BRAF (0.76) | BRAFTEKLCKKDRRAF1 | |
| SCHEMBL2268467 | 0.86 | TEK (0.76) | BRAFTEKLCKKDRRAF1 | |
| SCHEMBL2517955 | 0.85 | BRAF (1.00) | BRAFTEKLCKKDRRAF1 | |
| SCHEMBL2261239 | 0.83 | TEK (0.76) | BRAFTEKLCKKDRRAF1 | |
| SCHEMBL11967626 | 0.83 | TEK (0.71) | BRAFTEKLCKKDRRAF1 | |
| SCHEMBL2261796 | 0.82 | TEK (0.70) | BRAFTEKLCKKDRRAF1 | |
| SCHEMBL2262420 | 0.82 | TEK (0.73) | BRAFTEKLCKKDRRAF1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130226549-A1 | STRUCTURE-BASED FRAGMENT HOPPING FOR LEAD OPTIMIZATION AND IMPROVEMENT IN SYNTHETIC ACCESSIBILITY | TSENG, YUFENG J. (TW) | 2013-08-29 | — | — | US | disclosed |
| US-20130226549-A1 | STRUCTURE-BASED FRAGMENT HOPPING FOR LEAD OPTIMIZATION AND IMPROVEMENT IN SYNTHETIC ACCESSIBILITY | TSENG, YUFENG J. (TW) | 2013-08-29 | — | — | US | disclosed |
| EP-1976836-B9 | NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES | AMGEN INC (US) | 2013-02-06 | — | — | EP | disclosed |
| EP-1976836-B1 | NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES | AMGEN INC (US) | 2012-08-22 | — | — | EP | disclosed |
| EP-2481729-A1 | Nintrogen-containing bicyclic heteroaryl compounds for the treatment of RAF protein kinase-mediated diseases | Amgen Inc. (US) | 2012-08-01 | — | — | EP | disclosed |