⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23467550 | 0.91 | TSHR (0.39) | — | |
| SCHEMBL14030523 | 0.84 | — | — | |
| SCHEMBL8188112 | 0.84 | — | — | |
| SCHEMBL23132311 | 0.84 | — | — | |
| SCHEMBL13964321 | 0.74 | — | — | |
| SCHEMBL19674253 | 0.74 | — | — | |
| SCHEMBL20403014 | 0.72 | — | — | |
| SCHEMBL18618326 | 0.72 | — | — | |
| SCHEMBL21885809 | 0.72 | — | — | |
| SCHEMBL22080010 | 0.72 | ESR1 (0.32) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11155556-B2 | Pyrimido-diazepinone kinase scaffold compounds and methods for treating PI3K-mediated disorders | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2021-10-26 | — | — | US | disclosed |
| WO-2021183970-A1 | NON-ATP/CATALYTIC SITE P38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2021-09-16 | — | — | WO | disclosed |
| US-20210087190-A1 | SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS | CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) | 2021-03-25 | — | — | US | disclosed |
| US-20210087189-A1 | SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS | CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) | 2021-03-25 | — | — | US | disclosed |
| US-20190106424-A1 | PYRIMIDO-DIAZEPINON KINASE SCAFFOLD COMPOUNDS AND METHODS FOR TREATING P13K-MEDIATED DISORDERS | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2019-04-11 | — | — | US | disclosed |
| US-20170073330-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-03-16 | — | — | US | disclosed |
| WO-2015129927-A1 | HETEROCYCLIC COMPOUNDS | KYORIN PHARMACEUTICAL CO., LTD. (JP) | 2015-09-03 | — | — | WO | disclosed |