⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL802342 | 0.70 | PDK2 (0.36) | — | |
| SCHEMBL16369418 | 0.70 | GABRG2 (0.31) | — | |
| SCHEMBL16369431 | 0.67 | CYP11B1 (0.32) | — | |
| SCHEMBL24097383 | 0.64 | CYP11B1 (0.30) | — | |
| SCHEMBL12856186 | 0.64 | CDC25B (0.35) | — | |
| SCHEMBL14339842 | 0.59 | — | — | |
| SCHEMBL19754802 | 0.58 | LMNA (0.33) | — | |
| SCHEMBL4151725 | 0.58 | MKNK2 (0.41) | — | |
| SCHEMBL30059171 | 0.58 | MKNK2 (0.41) | — | |
| SCHEMBL19901472 | 0.57 | PTPN1 (0.36) | — |
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-8921361-B2 | Triazine, pyrimidine and pyridine analogs and their use as therapeutic agents and diagnostic probes | UNIVERSITY OF BASEL (CH) | 2014-12-30 | — | — | US | disclosed |
| US-8633210-B2 | Triazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-01-21 | — | — | US | disclosed |
| US-8304414-B2 | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-11-06 | — | — | US | disclosed |
| US-20120071657-A1 | TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-03-22 | — | — | US | disclosed |
| US-7982037-B2 | (5-Methyl-2H-pyrazol-3-yl)-(2-phenylsulfanyl-quinazolin-4-yl)-amine; Anticancer agents; antidiabetic agents; Alzheimer's disease; inhibitors of Aurora-2 and GSK-3 | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-07-19 | — | — | US | disclosed |