⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14549180 | 0.78 | — | — | |
| SCHEMBL8555731 | 0.78 | — | — | |
| SCHEMBL17088286 | 0.76 | KDM4E (0.34) | — | |
| SCHEMBL17547305 | 0.74 | — | — | |
| SCHEMBL11583412 | 0.74 | — | — | |
| SCHEMBL6845036 | 0.74 | — | — | |
| SCHEMBL167563 | 0.74 | LMNA (0.39) | — | |
| SCHEMBL1514052 | 0.71 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL9826435 | 0.71 | KDM4E (0.33) | — | |
| SCHEMBL15305911 | 0.71 | KDM4E (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7605154-B2 | ATP-protein kinase inhibitors; cytomegalovirus; contraceptive agents; cancer; N7-(3-ethynyl-phenyl)-N2-(4-piperidin-1-ylmethyl-phenyl)-thiazolo[4,5-d]pyrimidine-2,7-diamine | JANSSEN PHARMACEUTICA N.V. (BE) | 2009-10-20 | — | — | US | disclosed |
| US-4153607-A | Process for the production of 4,5-disubstituted thiazoles | BASF AKTIENGESELLSCHAFT (DE) | 1979-05-08 | — | — | US | disclosed |