SCHEMBL6850317

SCHEMBL6850317

c1nnn2c1CCCC2

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL13040203 0.98 ALDH1A1 (0.41)
Ammonia Solution, Strong SCHEMBL17376777 0.81
Hydrochloric Acid SCHEMBL30917857 0.70 SOD3 (0.32)
SCHEMBL13040283 0.69 BRD4 (0.38)
SCHEMBL19028961 0.68 CYP1A2 (0.37)
SCHEMBL31739871 0.68
SCHEMBL27390970 0.67
Ammonia Solution, Strong SCHEMBL27855205 0.65
SCHEMBL931506 0.65
Hydrochloric Acid SCHEMBL17310826 0.64 SOD3 (0.33)

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4704830-A2 MRGPRX2 INHIBITORS AND METHODS OF USE THEREOF Septerna, Inc. (US) 2026-03-11 EP claimed
WO-2024226914-A2 MRGPRX2 ANTAGONISTS AND METHODS OF USE THEREOF SEPTERNA, INC. (US) 2024-10-31 WO claimed
CN-111465603-B Triazolopyridines as gamma secretase modulators 勃林格殷格翰国际有限公司 2024-01-09 CN disclosed
EP-4252755-A2 THERAPEUTIC COMPOUNDS C4x Discovery Limited (GB) 2023-10-04 EP disclosed
EP-3870578-B1 THERAPEUTIC COMPOUNDS C4X DISCOVERY LTD (GB) 2023-08-16 EP disclosed
US-20230159511-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS C4X DISCOVERY LIMITED (GB) 2023-05-25 US disclosed
WO-2023073364-A1 TETRAHYDROISOQUINOLINE COMPOUNDS THAT ARE KEAP1 BINDERS C4X DISCOVERY LIMITED (GB) 2023-05-04 WO disclosed
US-20220340592-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2022-10-27 US disclosed
US-11352369-B2 Pyridine and pyrimidine derivatives ASTRAZENECA AB (SE) 2022-06-07 US disclosed
US-11339161-B2 Triazolo pyridines as modulators of gamma-secretase BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-05-24 US disclosed
US-20220002286-A1 THERAPEUTIC COMPOUNDS C4X DISCOVERY LIMITED (GB) 2022-01-06 US disclosed
US-20210017173-A1 TRIAZOLO PYRIDINES AS MODULATORS OF GAMMA-SECRETASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-01-21 US disclosed
US-10717746-B2 Chemical compounds ASTRAZENECA AB (SE) 2020-07-21 US disclosed
EP-3539961-A1 POLYCYCLIC AMIDE DERIVATIVES AS CDK9 INHIBITORS Astrazeneca AB (SE) 2019-09-18 EP disclosed
EP-3313838-B1 POLYCYCLIC AMIDE DERIVATIVES AS CDK9 INHIBITORS ASTRAZENECA AB (SE) 2019-04-03 EP disclosed
US-20180093998-A1 CHEMICAL COMPOUNDS ASTRAZENECA PHARMACEUTICALS LP 2018-04-05 US disclosed
US-9845331-B2 Chemical compounds ASTRAZENECA AB (SE) 2017-12-19 US disclosed
US-20160376287-A1 Chemical Compounds ASTRAZENECA AB (SE) 2016-12-29 US disclosed
WO-2011036885-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2011-03-31 WO disclosed
US-20080051409-A1 Indolizine Carboxamides and Aza and Diaza Derivatives Thereof SCHWARZ PHARMA AG (DE) 2008-02-28 US disclosed