SCHEMBL503754

SCHEMBL503754

C#Cc1cncc(O)c1

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
SCHEMBL21122049 0.82 CYP2A6 (0.50)
SCHEMBL29413231 0.76
SCHEMBL875703 0.76
SCHEMBL3819587 0.73
SCHEMBL12325969 0.71
SCHEMBL2516571 0.71
SCHEMBL31503936 0.71
SCHEMBL503854 0.71
SCHEMBL1476199 0.71
SCHEMBL16288484 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230391770-A1 METTL3 INHIBITORY COMPOUNDS STORM THERAPEUTICS LIMITED (GB) 2023-12-07 US disclosed
WO-2022074379-A1 METTL3 INHIBITORY COMPOUNDS STORM THERAPEUTICS LIMITED (GB) 2022-04-14 WO disclosed
EP-2528903-B1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2016-07-20 EP disclosed
EP-2323992-B1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2016-07-20 EP disclosed
EP-2323992-B1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2016-07-20 EP disclosed
EP-2528903-B1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2016-07-20 EP disclosed
US-20160199383-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2016-07-14 US disclosed
US-20160199383-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2016-07-14 US disclosed
US-20160199383-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2016-07-14 US disclosed
US-9321771-B2 5-alkynyl-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-26 US disclosed
WO-2011092197-A1 5-ALKYNYL PYRIMIDINES AND THEIR USE AS KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO disclosed
CN-102112450-A 5-alkynyl-pyrimidines BOEHRINGER INGELHEIM INT 2011-06-29 CN disclosed
EP-2323992-A1 5-ALKYNYL-PYRIMIDINES Boehringer Ingelheim International GmbH (DE) 2011-05-25 EP disclosed
US-20110098275-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 US disclosed
US-20110098275-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 US disclosed
US-20110098275-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 US disclosed
WO-2010122069-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 WO disclosed
WO-2010122069-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 WO disclosed
WO-2010012740-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-04 WO disclosed
WO-2010012740-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-04 WO disclosed