Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | JAK3 known ✓ | P52333 | 3/20 | 0.53 |
| ▸ | EGFR known ✓ | P00533 | 2/20 | 0.46 |
| ▸ | PDGFRB known ✓ | P09619 | 3/20 | 0.43 |
| ▸ | PIK3CD known ✓ | O00329 | 1/20 | 0.43 |
| ▸ | ABL1 known ✓ | P00519 | 1/20 | 0.43 |
| ▸ | RAF1 known ✓ | P04049 | 1/20 | 0.43 |
| ▸ | ERBB2 known ✓ | P04626 | 1/20 | 0.43 |
| ▸ | INSR known ✓ | P06213 | 1/20 | 0.43 |
| ▸ | RET known ✓ | P07949 | 1/20 | 0.43 |
| ▸ | IGF1R known ✓ | P08069 | 1/20 | 0.43 |
| ▸ | KIT known ✓ | P10721 | 1/20 | 0.43 |
| ▸ | BRAF known ✓ | P15056 | 1/20 | 0.43 |
| ▸ | FLT1 known ✓ | P17948 | 1/20 | 0.43 |
| ▸ | FLT4 known ✓ | P35916 | 1/20 | 0.43 |
| ▸ | KDR known ✓ | P35968 | 1/20 | 0.43 |
| ▸ | FLT3 known ✓ | P36888 | 1/20 | 0.43 |
| ▸ | TEC known ✓ | P42680 | 1/20 | 0.43 |
| ▸ | TXK known ✓ | P42681 | 1/20 | 0.43 |
| ▸ | BMX known ✓ | P51813 | 1/20 | 0.43 |
| ▸ | BTK known ✓ | Q06187 | 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 | |
|---|---|---|---|---|
| SCHEMBL2102893 | 0.93 | SYK (0.57) | SYKJAK1JAK3ADORA3TYRO3 | |
| SCHEMBL2104145 | 0.90 | SYK (0.62) | SYKJAK1JAK3ADORA3TYRO3 | |
| SCHEMBL2104371 | 0.90 | SYK (0.68) | SYKJAK1JAK3ADORA3TYRO3 | |
| SCHEMBL2105369 | 0.90 | SYK (0.68) | SYKJAK1JAK3ADORA3TYRO3 | |
| SCHEMBL2104040 | 0.86 | SYK (0.60) | SYKJAK1JAK3ADORA3TYRO3 | |
| SCHEMBL2104246 | 0.85 | ADORA3 (0.62) | SYKJAK1JAK3ADORA3TYRO3 | |
| SCHEMBL2103229 | 0.84 | SYK (0.70) | SYKJAK1JAK3ADORA3TYRO3 | |
| SCHEMBL2104157 | 0.81 | SYK (0.64) | SYKJAK1JAK3JAK2EGFR | |
| SCHEMBL2105664 | 0.81 | SYK (0.73) | SYKJAK1JAK3ADORA3TYRO3 | |
| SCHEMBL3852709 | 0.80 | SYK (0.60) | SYKJAK1JAK3ADORA3TYRO3 |
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 |