⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 | |
|---|---|---|---|---|
| SCHEMBL1208751 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL14119534 | 0.75 | KMT2A (0.34) | — | |
| SCHEMBL22642775 | 0.71 | COMT (0.37) | — | |
| SCHEMBL27621910 | 0.70 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL18759809 | 0.70 | NTRK1 (0.46) | — | |
| SCHEMBL28026876 | 0.67 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL160277 | 0.65 | — | — | |
| SCHEMBL2616828 | 0.65 | — | — | |
| SCHEMBL2616830 | 0.65 | — | — | |
| SCHEMBL12537263 | 0.64 | COMT (0.52) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8163756-B2 | For example,1-(3-t-butyl-1- (1,2,3,4-tetrahydro- isoquinolin-6-yl)-1H- pyrazol-5-yl)-3-(3- cyanophenyl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies | DECIPHERA PHARMACEUTICALS, LLC (US) | 2012-04-24 | — | — | US | disclosed |
| US-20080113967-A1 | ENZYME MODULATORS AND TREATMENTS | DECIPHERA PHARMACEUTICALS, LLC (US) | 2008-05-15 | — | — | US | disclosed |
| US-20070078121-A1 | Enzyme modulators and treatments | DECIPHERA PHARMACEUTICALS, LLC | 2007-04-05 | — | — | US | disclosed |