⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20236023 | 0.80 | ALDH1A1 (0.55) | — | |
| SCHEMBL20236024 | 0.80 | ALDH1A1 (0.55) | — | |
| SCHEMBL10555020 | 0.76 | — | — | |
| SCHEMBL10402633 | 0.76 | — | — | |
| SCHEMBL9752444 | 0.76 | — | — | |
| SCHEMBL31573242 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL2166927 | 0.74 | ALDH1A1 (0.42) | — | |
| SCHEMBL2166923 | 0.74 | ALDH1A1 (0.42) | — | |
| SCHEMBL11652736 | 0.72 | ADH1B (0.30) | — | |
| SCHEMBL331716 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017070135-A1 | PRODRUGS OF 2-(4-(3-((4-AMINO-7-CYANO-IMIDAZO[2,1-F][1,2,4]TRIAZIN-2-YL)AMINO)PHENYL)PIPERAZ IN-1-YL)PROPANAMIDE DERIVATIVES AS CK2 INHIBITORS FOR THE TREATMENT OF CANCER | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-04-27 | — | — | WO | disclosed |