⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7221287 | 0.82 | — | — | |
| SCHEMBL357827 | 0.78 | — | — | |
| SCHEMBL6626926 | 0.78 | — | — | |
| SCHEMBL11479970 | 0.78 | — | — | |
| SCHEMBL356218 | 0.75 | — | — | |
| SCHEMBL2240829 | 0.73 | — | — | |
| SCHEMBL22973411 | 0.71 | CAPN1 (0.33) | — | |
| SCHEMBL6241739 | 0.68 | — | — | |
| SCHEMBL5945904 | 0.64 | — | — | |
| SCHEMBL14863740 | 0.64 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240228502-A1 | 2-PHENYLAMINO PYRROLOPYRIMIDINES AS ACK1 INHIBITORS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2024-07-11 | — | — | US | disclosed |
| WO-2022226290-A1 | 2-PHENYLAMINO PYRROLOPYRIMIDINES AS ACK1 INHIBITORS | H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) | 2022-10-27 | — | — | WO | disclosed |
| CN-102656147-A | Spiro indole-cyclopropane indolinones useful as AMPK modulators | HOFFMANN LA ROCHE | 2012-09-05 | — | — | CN | disclosed |
| EP-0994875-B1 | 3-PYRIDYL-1-AZABICYCLOALKANE DERIVATIVES FOR PREVENTION AND TREATMENT OF CNS DISORDERS | TARGACEPT INC (US) | 2004-03-10 | — | — | EP | disclosed |
| US-6624173-B1 | Characterized by an alteration in normal neurotransmitter release, such as dopamine release (e.g., Parkinsonism, Parkinson's Disease, Tourette's Syndrome, attention deficient disorder, or schizophrenia) treated by | TARGACEPT, INC. | 2003-09-23 | — | — | US | disclosed |
| US-6525065-B1 | Central nervous system disorders; administering an endo or exo form of a 1-aza-2-(3-pyridyl)bicyclo(2.2.1)heptane, or a 1-aza-7-(3-pyridyl)bicyclo(3.2.2) nonane, or a 1-aza-2-(3-pyridyl)bicyclo(2.2.2)octane | TARGACEPT, INC. | 2003-02-25 | — | — | US | disclosed |
| EP-0994875-A1 | 3-PYRIDYL-1-AZA-BICYCLO-ALKANE DERIVATIVES FOR PREVENTION AND TREATMENT OF CNS DISORDERS | R.J. REYNOLDS TOBACCO COMPANY (US) | 2000-04-26 | — | — | EP | disclosed |
| WO-1999000385-A1 | 3-PYRIDYL-1-AZA-BICYCLO-ALKANE DERIVATIVES FOR PREVENTION AND TREATMENT OF CNS DISORDERS | R.J. REYNOLDS TOBACCO COMPANY (US) | 1999-01-07 | — | — | WO | disclosed |