⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2642429 | 0.87 | ALDH1A1 (0.36) | — | |
| SCHEMBL2642341 | 0.76 | GCK (0.35) | — | |
| SCHEMBL2642267 | 0.74 | MAP4K4 (0.31) | — | |
| SCHEMBL2642396 | 0.72 | GCK (0.32) | — | |
| SCHEMBL19386625 | 0.60 | EHMT2 (0.41) | — | |
| SCHEMBL2642431 | 0.58 | ALDH1A1 (0.34) | — | |
| SCHEMBL2642615 | 0.57 | DRD1 (0.36) | — | |
| SCHEMBL8541839 | 0.57 | KMT2A (0.50) | — | |
| SCHEMBL9007771 | 0.56 | TSHR (0.49) | — | |
| SCHEMBL12006291 | 0.55 | CDK1 (0.53) | — |
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-20080032996-A1 | Substituted Quinazoline or Pyridopyrimidine Derivative | MSD K.K. (JP) | 2008-02-07 | — | — | US | claimed |
| EP-1734040-A1 | SUBSTITUTED QUINAZOLINE OR PYRIDOPYRIMIDINE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2006-12-20 | — | — | EP | claimed |
| US-7687502-B2 | Substituted quinazoline or pyridopyrimidine derivative | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2010-03-30 | — | — | US | disclosed |
| US-20080032996-A1 | Substituted Quinazoline or Pyridopyrimidine Derivative | MSD K.K. (JP) | 2008-02-07 | — | — | US | disclosed |
| EP-1734040-A1 | SUBSTITUTED QUINAZOLINE OR PYRIDOPYRIMIDINE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2006-12-20 | — | — | EP | disclosed |