⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19069179 | 0.86 | — | — | |
| SCHEMBL20927051 | 0.86 | — | — | |
| SCHEMBL9004152 | 0.81 | HDAC8 (0.31) | — | |
| SCHEMBL18948788 | 0.79 | — | — | |
| SCHEMBL31276010 | 0.75 | HDAC8 (0.31) | — | |
| SCHEMBL22065025 | 0.72 | NPC1 (0.30) | — | |
| SCHEMBL18857402 | 0.71 | MAPK1 (0.37) | — | |
| SCHEMBL26831736 | 0.71 | HDAC8 (0.34) | — | |
| SCHEMBL9070195 | 0.69 | HRH4 (0.36) | — | |
| SCHEMBL20122652 | 0.69 | HMGCR (0.34) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11351168-B1 | 2,4-disubstituted pyrimidines useful as kinase inhibitors | CELGENE CAR LLC (BM) | 2022-06-07 | — | — | US | disclosed |
| US-10596172-B2 | 2,4-disubstituted pyrimidines useful as kinase inhibitors | CELGENE CAR LLC (BM) | 2020-03-24 | — | — | US | disclosed |
| US-20190192512-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY | 2019-06-27 | — | — | US | disclosed |
| US-9796700-B2 | ERK inhibitors and uses thereof | CELGENE CAR LLC (BM) | 2017-10-24 | — | — | US | disclosed |
| US-9695132-B2 | Heteroaryl compounds and uses thereof | CELGENE CAR LLC (BM) | 2017-07-04 | — | — | US | disclosed |
| US-20170137406-A1 | ERK INHIBITORS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY | 2017-05-18 | — | — | US | disclosed |