⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27934022 | 1.00 | — | — | |
| SCHEMBL13484360 | 0.78 | NOTUM (0.33) | — | |
| SCHEMBL13956066 | 0.77 | — | — | |
| SCHEMBL22255597 | 0.76 | — | — | |
| SCHEMBL17298833 | 0.76 | — | — | |
| SCHEMBL835246 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL27471183 | 0.75 | NOTUM (0.35) | — | |
| SCHEMBL17359182 | 0.72 | NOTUM (0.36) | — | |
| SCHEMBL17357793 | 0.72 | — | — | |
| SCHEMBL20628786 | 0.71 | CTSK (0.38) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140187774-A1 | METHODS FOR PREPARING PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED | 2014-07-03 | — | — | US | disclosed |
| US-20140187774-A1 | METHODS FOR PREPARING PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED | 2014-07-03 | — | — | US | disclosed |
| US-20140187774-A1 | METHODS FOR PREPARING PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED | 2014-07-03 | — | — | US | disclosed |
| US-8637666-B2 | Methods for preparing pyrimidine derivatives useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-01-28 | — | — | US | disclosed |
| US-8637666-B2 | Methods for preparing pyrimidine derivatives useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-01-28 | — | — | US | disclosed |
| US-8637666-B2 | Methods for preparing pyrimidine derivatives useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-01-28 | — | — | US | disclosed |
| CN-103492391-A | Methods for preparing pyrimidine derivatives useful as protein kinase inhibitors | VERTEX PHARMA | 2014-01-01 | — | — | CN | disclosed |
| US-20120178926-A1 | METHODS FOR PREPARING PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-07-12 | — | — | US | disclosed |
| US-20120178926-A1 | METHODS FOR PREPARING PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-07-12 | — | — | US | disclosed |
| US-20120178926-A1 | METHODS FOR PREPARING PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-07-12 | — | — | US | disclosed |
| WO-2011038185-A2 | METHODS FOR PREPARING PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-03-31 | — | — | WO | disclosed |