⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4265871 | 0.93 | TAAR1 (0.35) | — | |
| Trifluoroacetic Acid SCHEMBL4259057 | 0.89 | CACNA1G (0.31) | — | |
| SCHEMBL1656586 | 0.88 | ROCK2 (0.34) | — | |
| SCHEMBL15453745 | 0.87 | CACNA1G (0.33) | — | |
| SCHEMBL4264416 | 0.87 | ROCK2 (0.36) | — | |
| SCHEMBL1658751 | 0.87 | ROCK2 (0.34) | — | |
| SCHEMBL4257728 | 0.87 | HPGD (0.30) | — | |
| SCHEMBL4264032 | 0.86 | ALDH1A1 (0.30) | — | |
| SCHEMBL6792403 | 0.85 | ROCK2 (0.35) | — | |
| SCHEMBL6793563 | 0.84 | — | — |
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-20040127492-A1 | Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 | PHARMACIA CORPORATION | 2004-07-01 | — | — | US | claimed |
| US-8440610-B2 | Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2013-05-14 | — | — | US | disclosed |
| US-20120252737-A1 | Methods for Diagnosing and Treating Cancer | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2012-10-04 | — | — | US | disclosed |
| US-20090010927-A1 | Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2009-01-08 | — | — | US | disclosed |
| US-20040127492-A1 | Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 | PHARMACIA CORPORATION | 2004-07-01 | — | — | US | disclosed |