⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18194328 | 0.75 | KDM5A (0.36) | — | |
| SCHEMBL29560248 | 0.72 | CHEK1 (0.35) | — | |
| SCHEMBL16483817 | 0.72 | — | — | |
| SCHEMBL18056912 | 0.72 | CHEK1 (0.35) | — | |
| SCHEMBL30677355 | 0.72 | MAPK1 (0.35) | — | |
| SCHEMBL30605137 | 0.72 | — | — | |
| SCHEMBL20524214 | 0.72 | MAPK1 (0.35) | — | |
| SCHEMBL20028298 | 0.70 | CCNB2 (0.46) | — | |
| SCHEMBL19372896 | 0.68 | PDPK1 (0.38) | — | |
| SCHEMBL17175024 | 0.67 | PARP14 (0.31) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11337981-B2 | Dual CLK/CDK1 inhibitors for cancer treatment | SRI INTERNATIONAL (US) | 2022-05-24 | — | — | US | disclosed |
| US-20200390772-A1 | DUAL CLK/CDK1 INHIBITORS FOR CANCER TREATMENT | SRI INTERNATIONAL | 2020-12-17 | — | — | US | disclosed |
| US-10722515-B2 | Dual CLK/CDK1 inhibitors for cancer treatment | SRI INTERNATIONAL (US) | 2020-07-28 | — | — | US | disclosed |
| US-20190255059-A1 | DUAL CLK/CDK1 INHIBITORS FOR CANCER TREATMENT | SRI INTERNATIONAL | 2019-08-22 | — | — | US | disclosed |
| WO-2018064545-A1 | DUAL CLK/CDK1 INHIBITORS FOR CANCER TREATMENT | SRI INTERNATIONAL (US) | 2018-04-05 | — | — | WO | disclosed |