⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3250872 | 0.73 | — | — | |
| SCHEMBL3250882 | 0.71 | — | — | |
| SCHEMBL18535412 | 0.67 | — | — | |
| SCHEMBL31691833 | 0.67 | — | — | |
| SCHEMBL1645033 | 0.64 | — | — | |
| SCHEMBL1548958 | 0.61 | — | — | |
| SCHEMBL25261827 | 0.61 | — | — | |
| SCHEMBL19031910 | 0.61 | KCNA4 (0.33) | — | |
| SCHEMBL30869453 | 0.61 | EPHX1 (0.41) | — | |
| SCHEMBL2010663 | 0.60 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140141099-A1 | DRUG DISCOVERY METHODS | VERTEX PHARMACEUTICALS INCORPORATED | 2014-05-22 | — | — | US | disclosed |
| US-20140141099-A1 | DRUG DISCOVERY METHODS | VERTEX PHARMACEUTICALS INCORPORATED | 2014-05-22 | — | — | US | disclosed |
| US-8637511-B2 | Aminopyrimidines useful as kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-01-28 | — | — | US | disclosed |
| US-8637511-B2 | Aminopyrimidines useful as kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-01-28 | — | — | US | disclosed |
| US-20120004240-A1 | INHIBITORS OF AKT ACTIVITY | MERCK SHARP & DOHME LLC | 2012-01-05 | — | — | US | disclosed |
| US-20110269732-A1 | DRUG DISCOVERY METHODS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-11-03 | — | — | US | disclosed |
| US-20110269732-A1 | DRUG DISCOVERY METHODS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-11-03 | — | — | US | disclosed |
| US-20100310675-A1 | AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-12-09 | — | — | US | disclosed |
| US-20100310675-A1 | AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-12-09 | — | — | US | disclosed |
| US-7767672-B2 | Aminopyrimidines useful as kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-08-03 | — | — | US | disclosed |
| US-7767672-B2 | Aminopyrimidines useful as kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-08-03 | — | — | US | disclosed |
| WO-2008131103-A2 | DRUG DISCOVERY METHODS FOR AURORA KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-10-30 | — | — | WO | disclosed |
| US-20070259869-A1 | Aminopyrimidines useful as kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-11-08 | — | — | US | disclosed |
| US-20070259869-A1 | Aminopyrimidines useful as kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-11-08 | — | — | US | disclosed |
| WO-2007056221-A2 | AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-05-18 | — | — | WO | disclosed |