Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK known ✓ | Q06187 | 1/20 | 0.43 |
| ▸ | SYK | P43405 | 14/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.57 |
| ▸ | TYRO3 | Q06418 | 2/20 | 0.57 |
| ▸ | JAK1 | P23458 | 5/20 | 0.56 |
| ▸ | JAK3 | P52333 | 5/20 | 0.56 |
| ▸ | JAK2 | O60674 | 2/20 | 0.48 |
| ▸ | EGFR | P00533 | 2/20 | 0.48 |
| ▸ | LCK | P06239 | 2/20 | 0.48 |
| ▸ | LYN | P07948 | 2/20 | 0.48 |
| ▸ | FGFR4 | P22455 | 2/20 | 0.48 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.43 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.43 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.43 |
| ▸ | CDC7 | O00311 | 1/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.43 |
| ▸ | PLK4 | O00444 | 1/20 | 0.43 |
| ▸ | STK25 | O00506 | 1/20 | 0.43 |
| ▸ | CIT | O14578 | 1/20 | 0.43 |
| ▸ | RIOK3 | O14730 | 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 | |
|---|---|---|---|---|
| SCHEMBL2102858 | 0.93 | SYK (0.57) | SYKADORA3TYRO3JAK1JAK3 | |
| SCHEMBL2104371 | 0.91 | SYK (0.68) | SYKADORA3TYRO3JAK1JAK3 | |
| SCHEMBL2105369 | 0.91 | SYK (0.68) | SYKADORA3TYRO3JAK1JAK3 | |
| SCHEMBL2104246 | 0.89 | ADORA3 (0.62) | SYKADORA3TYRO3JAK1JAK3 | |
| SCHEMBL2103810 | 0.86 | ADORA3 (0.65) | SYKADORA3TYRO3JAK1JAK3 | |
| SCHEMBL2103229 | 0.84 | SYK (0.70) | SYKADORA3TYRO3JAK1JAK3 | |
| SCHEMBL2104145 | 0.83 | SYK (0.62) | SYKADORA3TYRO3JAK1JAK3 | |
| SCHEMBL2104157 | 0.82 | SYK (0.64) | SYKJAK1JAK3JAK2EGFR | |
| SCHEMBL3852709 | 0.80 | SYK (0.60) | SYKADORA3TYRO3JAK1JAK3 | |
| SCHEMBL13007742 | 0.80 | SYK (0.67) | SYKJAK1JAK3JAK2EGFR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7812029-B1 | such as N4-[(2,2-Dimethyl-4H-benzo[1,4]oxazin-3-one)-6-yl]-5-fluoro-N2-[3-(methylaminocarbonylmethyleneoxy)phenyl]-2,4-pyrimidinediamine; Glomerulonephritis; rheumatoid arthritis; systemic lupus erythematosis; multiple sclerosis | RIGEL PHARMACEUTICALS, INC. (US) | 2010-10-12 | — | — | US | claimed |
| US-8557806-B2 | Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds | RIGEL PHARMACEUTICALS, INC. (US) | 2013-10-15 | — | — | US | disclosed |
| US-8158621-B2 | Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds | RIGEL PHARMACEUTICALS, INC. (US) | 2012-04-17 | — | — | US | disclosed |
| US-7825116-B2 | -(2-Aminopyrid-6-yl)-5-fluoro-N2-[3-(N-methylamino)carbonylmethyleneoxyphenyl]-2,4-pyrimidinediamine; signal transduction cascade inhibitor; Fc receptors for immunoglobulins IgE and IgG antagonist; autoimmune diseases, antiinflammatory agent; rheumatoid arthritis, multiple sclerosis | RIGEL PHARMACEUTICALS, INC. (US) | 2010-11-02 | — | — | US | disclosed |
| US-7812029-B1 | such as N4-[(2,2-Dimethyl-4H-benzo[1,4]oxazin-3-one)-6-yl]-5-fluoro-N2-[3-(methylaminocarbonylmethyleneoxy)phenyl]-2,4-pyrimidinediamine; Glomerulonephritis; rheumatoid arthritis; systemic lupus erythematosis; multiple sclerosis | RIGEL PHARMACEUTICALS, INC. (US) | 2010-10-12 | — | — | US | disclosed |
| US-7517886-B2 | Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds | RIGEL PHARMACEUTICALS, INC. (US) | 2009-04-14 | — | — | US | disclosed |