SCHEMBL2117891

SCHEMBL2117891

Oc1cc(O)nc(CF)n1

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
SCHEMBL26598617 0.79
SCHEMBL3110988 0.74 ACHE (0.33)
SCHEMBL16474216 0.72 MAPT (0.50)
SCHEMBL10004688 0.72 GPR84 (0.34)
SCHEMBL2117448 0.72
SCHEMBL16212161 0.72
SCHEMBL4273865 0.70 KDM4E (0.34)
SCHEMBL3293308 0.69
SCHEMBL2115423 0.69
SCHEMBL2118423 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250270190-A1 KIT INHIBITORS BLUEPRINT MEDICINES CORPORATION 2025-08-28 US disclosed
CN-119585250-A KIT inhibitors 蓝图药品公司 2025-03-07 CN disclosed
EP-4511366-A1 KIT INHIBITORS Blueprint Medicines Corporation (US) 2025-02-26 EP disclosed
WO-2023205226-A1 KIT INHIBITORS BLUEPRINT MEDICINES CORPORATION (US) 2023-10-26 WO disclosed
EP-2731941-B1 NOVEL AND SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2019-05-08 EP disclosed
US-9108958-B2 Selective CCR2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-18 US disclosed
EP-2143724-B1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL (JP) 2013-12-11 EP disclosed
CN-101663302-B Nitrogenated fused ring derivative, pharmaceutical composition comprising the same, and use of the same for medical purposes KISSEI PHARMACEUTICAL 2013-07-24 CN disclosed
US-20130172348-A1 NOVEL AND SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-04 US disclosed
US-20130172348-A1 NOVEL AND SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-04 US disclosed
US-7737155-B2 Nitrogen-containing heterocyclic compounds and methods of use thereof SCHERING CORPORATION (US) 2010-06-15 US disclosed
US-20100112090-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD (JP) 2010-05-06 US disclosed
CN-101663302-A Nitrogenated fused ring derivative, pharmaceutical composition comprising the same, and use of the same for medical purposes KISSEI PHARMACEUTICAL 2010-03-03 CN disclosed
EP-2143724-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2010-01-13 EP disclosed
EP-2128141-A1 PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND Sumitomo Chemical Company, Limited (JP) 2009-12-02 EP disclosed
WO-2008060476-A2 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-05-22 WO disclosed
US-20080019978-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SCHERING CORPORATION 2008-01-24 US disclosed
US-20080019978-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SCHERING CORPORATION 2008-01-24 US disclosed
US-20070066630-A1 Nitrogen-containing heterocyclic compounds and methods of use thereof MERCK SHARP & DOHME LLC 2007-03-22 US disclosed
US-20070066630-A1 Nitrogen-containing heterocyclic compounds and methods of use thereof MERCK SHARP & DOHME LLC 2007-03-22 US disclosed