SCHEMBL4828045

SCHEMBL4828045

Nc1cc(Br)ncc1Br

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
SCHEMBL8568699 0.81
SCHEMBL13016652 0.79
SCHEMBL10184778 0.79
SCHEMBL30547261 0.79
SCHEMBL29331921 0.79 HTT (0.36)
SCHEMBL23461735 0.75
SCHEMBL18555265 0.75
SCHEMBL12492043 0.75
SCHEMBL21246871 0.75
SCHEMBL17901852 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017127627-A1 COMPOUNDS FOR TREATMENT OF TRYPANOSOMES AND NEUROLOGICAL PATHOGENS AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2017-07-27 WO disclosed
US-7449581-B2 6-Substituted pyrido-pyrimidines POCHE PALO ALTO LLC (US) 2008-11-11 US disclosed
US-7449581-B2 6-Substituted pyrido-pyrimidines POCHE PALO ALTO LLC (US) 2008-11-11 US disclosed
US-7449581-B2 6-Substituted pyrido-pyrimidines POCHE PALO ALTO LLC (US) 2008-11-11 US disclosed
US-7320987-B2 6-Alkoxy-pyrido-pyrimidines ROCHE PALO ALTO LLC (US) 2008-01-22 US disclosed
US-7320987-B2 6-Alkoxy-pyrido-pyrimidines ROCHE PALO ALTO LLC (US) 2008-01-22 US disclosed
US-7320987-B2 6-Alkoxy-pyrido-pyrimidines ROCHE PALO ALTO LLC (US) 2008-01-22 US disclosed
EP-1539755-B1 6-ALKOXY-PYRIDO-PYRIMIDINES AS P-38 MAP KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2007-09-26 EP disclosed
EP-1539755-B1 6-ALKOXY-PYRIDO-PYRIMIDINES AS P-38 MAP KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2007-09-26 EP disclosed
US-20070167484-A1 6-Alkoxy-pyrido-pyrimidines GOLDSTEIN DAVID M 2007-07-19 US disclosed
US-20050203300-A1 6-Alkoxy-pyrido-pyrimidines GOLDSTEIN DAVID M (US) 2005-09-15 US disclosed
EP-1539755-A1 6-ALKOXY-PYRIDO-PYRIMIDINES AS P-38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-15 EP disclosed
US-20040116698-A1 6-Substituted pyrido-pyrimidines CHEN JIAN JEFFREY (US) 2004-06-17 US disclosed
US-20040038999-A1 6-alkoxy-pyrido-pyrimidines ROCHE PALO ALTO LLC 2004-02-26 US disclosed
US-6696566-B2 SELECTIVE P38 KINASE INHIBITORS RELATIVE TO CYCLIN-DEPENDENT KINASES AND TYROSINE KINASES SYNTEX (U.S.A.) LLC 2004-02-24 US disclosed
WO-2004014907-A1 6-ALKOXY-PYRIDO-PYRIMIDINES AS P-38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-02-19 WO disclosed
EP-1361880-A2 6-SUBSTITUTED PYRIDO-PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-19 EP disclosed
US-20030171584-A1 Treating p38 mediated disorders such as arthritis, Crohns disease, irritable bowel syndrome adult respiratory distress syndrome or chronic obstructive pulmonary disease. SYNTEX (U.S.A.) LLC 2003-09-11 US disclosed
WO-2002064594-A2 6-SUBSTITUTED PYRIDO-PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 2002-08-22 WO disclosed
CN-1340500-A Position 3 or 4 substituted phenyl compound, its preparing process and its application LI LINGSONG (CN) 2002-03-20 CN disclosed