⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19880969 | 0.80 | KDM4E (0.32) | — | |
| SCHEMBL18638435 | 0.72 | CAMKK1 (0.38) | — | |
| SCHEMBL16897077 | 0.69 | CIT (0.39) | — | |
| SCHEMBL21361006 | 0.66 | FEN1 (0.36) | — | |
| SCHEMBL31337117 | 0.65 | KDM4E (0.44) | — | |
| SCHEMBL31701033 | 0.65 | FEN1 (0.32) | — | |
| SCHEMBL2125738 | 0.64 | ESR1 (0.40) | — | |
| SCHEMBL16692502 | 0.64 | — | — | |
| SCHEMBL15645111 | 0.63 | IKBKB (0.41) | — | |
| SCHEMBL2123530 | 0.62 | HDAC3 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10414763-B2 | Azaquinazoline inhibitors of atypical protein kinase C | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2019-09-17 | — | — | US | disclosed |