SCHEMBL4447233

SCHEMBL4447233

N#CC1C=Cc2ccccc2N1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATM Q13315 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL16320608 0.81 GAA (0.40) MAPTGAA
SCHEMBL6111309 0.69 GAA (0.44) MAPTGAA
SCHEMBL4540870 0.69 GAA (0.44) MAPTGAA
SCHEMBL5470066 0.69 GAA (0.44) MAPTGAA
SCHEMBL6056252 0.69 GAA (0.44) MAPTGAA
SCHEMBL4283708 0.69 GAA (0.44) MAPTGAA
SCHEMBL18562457 0.69 GAA (0.44) MAPTGAA
SCHEMBL12159337 0.69 GAA (0.44) MAPTGAA
SCHEMBL7442660 0.69 GAA (0.44) MAPTGAA
SCHEMBL20080197 0.69 ALDH1A1 (0.35) MAPTGAARAB9ASMN1; SMN2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021105117-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2021-06-03 WO claimed
EP-1534703-A2 ANTAGONISTS OF MELANIN CONCENTRATING HORMONE RECEPTOR ABBOTT LABORATORIES (US) 2005-06-01 EP claimed
WO-2003106452-A2 ANTAGONISTS OF MELANIN CONCENTRATING HORMONE RECEPTOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-12-24 WO claimed
WO-2023185811-A1 NOVEL HETEROCYCLIC COMPOUND 首药控股(北京)股份有限公司 2023-10-05 WO disclosed
WO-2023165504-A1 DIACYLGLYCEROL KINASE (DGK) ALPHA INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-09-07 WO disclosed
WO-2023023664-A1 SULFONYL-TRIAZOLES USEFUL AS COVALENT KINASE LIGANDS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2023-02-23 WO disclosed
WO-2021121367-A1 KRAS MUTANT PROTEIN INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2021-06-24 WO disclosed
CN-107708419-A Pyrazolo [4,3-c ] quinoline derivatives having inhibitory activity on bacterial glucuronidase 高雄医学大学 2018-02-16 CN disclosed
WO-2017165304-A2 Pd(II)-CATALYZED ENANTIOSELECTIVE BETA-METHYLENE C(sp3)-H BOND ACTIVATION THE SCRIPPS RESEARCH INSTITUTE (US) 2017-09-28 WO disclosed
EP-3177593-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS Novartis AG (CH) 2017-06-14 EP disclosed
WO-2016020836-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS NOVARTIS AG (CH) 2016-02-11 WO disclosed
EP-2771004-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2014-09-03 EP disclosed
WO-2013062900-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2013-05-02 WO disclosed
EP-2121702-A1 2-QUINOLINONE AND 2-QUINOXALINONE- DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 2009-11-25 EP disclosed
WO-2008071961-A1 2-QUINOLINONE AND 2-QUINOXALINONE- DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2008-06-19 WO disclosed
EP-1534703-A2 ANTAGONISTS OF MELANIN CONCENTRATING HORMONE RECEPTOR ABBOTT LABORATORIES (US) 2005-06-01 EP disclosed
WO-2003106452-A2 ANTAGONISTS OF MELANIN CONCENTRATING HORMONE RECEPTOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-12-24 WO disclosed