⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11456185 | 0.93 | EPHX1 (0.41) | — | |
| SCHEMBL6026422 | 0.93 | — | — | |
| SCHEMBL104968 | 0.82 | — | — | |
| SCHEMBL15623969 | 0.82 | CYP2D6 (0.40) | — | |
| SCHEMBL7287796 | 0.80 | SIGMAR1 (0.37) | — | |
| SCHEMBL13884246 | 0.79 | SIGMAR1 (0.45) | — | |
| SCHEMBL17369631 | 0.79 | SIGMAR1 (0.45) | — | |
| SCHEMBL104225 | 0.79 | — | — | |
| SCHEMBL23848106 | 0.79 | NCF1 (0.43) | — | |
| SCHEMBL23275875 | 0.77 | SIGMAR1 (0.42) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1463506-A1 | SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES | Astrazeneca AB (SE) | 2004-10-06 | — | — | EP | disclosed |
| WO-2003055491-A1 | SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES | ASTRAZENECA AB (SE) | 2003-07-10 | — | — | WO | disclosed |