SCHEMBL6872093

SCHEMBL6872093

CC(C)(C)c1c[nH]nc1C(F)(F)F

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
SCHEMBL25450634 0.85
SCHEMBL2528825 0.84
SCHEMBL1204756 0.84 CA1 (0.32)
SCHEMBL20734528 0.83
SCHEMBL25789212 0.75
SCHEMBL24066909 0.75
SCHEMBL12221381 0.73
SCHEMBL2195834 0.73 HTT (0.31)
SCHEMBL24067025 0.73 CES2 (0.30)
SCHEMBL22478435 0.73 CNR2 (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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4233859-A1 INHIBITORS OF KINASE NETWORKS AND USES THEREOF Purdue Research Foundation (US) 2023-08-30 EP disclosed
US-20230037448-A1 FLUORINATED QUINOLINE AND QUINOXALINE DERIVATIVES AS DIHYDROOROTATE DEHYDROGENASE (DHODH) INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISEASES NOVIRA THERAPEUTICS, LLC 2023-02-09 US disclosed
WO-2022256075-A1 PYRIMIDINE AND PYRIDINE AMINE COMPOUNDS AND USAGE THEREOF IN DISEASE TREATMENT EPIGEN BIOSCIENCES, INC. (US) 2022-12-08 WO disclosed
US-20210371420-A1 INHIBITORS OF KINASE NETWORKS AND USES THEREOF PURDUE RESEARCH FOUNDATION 2021-12-02 US disclosed
US-11040973-B2 Inhibitors of kinase networks and uses thereof PURDUE RESEARCH FOUNDATION 2021-06-22 US disclosed
US-20200308173-A1 INHIBITORS OF KINASE NETWORKS AND USES THEREOF PURDUE RESEARCH FOUNDATION 2020-10-01 US disclosed
US-8507490-B2 Tetrasubstituted pyridazine hedgehog pathway antagonists ELI LILLY AND COMPANY (US) 2013-08-13 US disclosed
US-20120316188-A1 PREPARATION OF 4-AMINO-THIAZOLES AND 3-AMINO-1,2,4-THIADIAZOLES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS BOLEA CHRISTELLE (CH) 2012-12-13 US disclosed
US-8193372-B2 Phosphothiophene and phosphothiazole HCV polymerase inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2012-06-05 US disclosed
US-8193372-B2 Phosphothiophene and phosphothiazole HCV polymerase inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2012-06-05 US disclosed
WO-2011010222-A1 NOVEL PYRAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2011-01-27 WO disclosed
US-20100233123-A1 PHOSPHOTHIOPHENE AND PHOSPHOTHIAZOLE HCV POLYMERASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-09-16 US disclosed
US-20100233123-A1 PHOSPHOTHIOPHENE AND PHOSPHOTHIAZOLE HCV POLYMERASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-09-16 US disclosed