SCHEMBL162159

SCHEMBL162159

Clc1ccc(Cc2cccc3[nH]c(CC4CCCN4)nc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.41
HTR6 P50406 6/20 0.39
HTR2A P28223 2/20 0.38
PRNP P04156 1/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.36

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
SCHEMBL8817554 0.80 PRNP (0.56) HTR6PRNPMAPT
SCHEMBL9015054 0.76 PRNP (0.46) PRNPMAPT
SCHEMBL456478 0.75 HTT (0.49) HTR6HTR2APRNPMAPT
SCHEMBL1257131 0.73 POLB (0.44) HTR6HTR2APOLB
SCHEMBL1258245 0.73 HTR2A (0.49) HTR6HTR2APOLB
SCHEMBL8551506 0.72 NPY1R (0.43) PRNPMAPT
SCHEMBL18577442 0.71 POLB (0.61) LTA4HHTR6POLB
SCHEMBL10132295 0.71 POLB (0.61) LTA4HHTR6POLB
SCHEMBL1443794 0.71 POLB (0.61) LTA4HHTR6POLB
SCHEMBL1255702 0.71 IDO1 (0.55) HTR6POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2825210-A1 LIM KINASEMODULATING AGENTS FOR NEUROFIBROMATOSES THERAPY AND METHODS FOR SCREENING FOR SAME University of Central Florida Research Foundation, Inc. (US) 2015-01-21 EP disclosed
WO-2013138456-A1 LIM KINASEMODULATING AGENTS FOR NEUROFIBROMATOSES THERAPY AND METHODS FOR SCREENING FOR SAME UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-09-19 WO disclosed
EP-2611789-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
EP-2611812-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
EP-2611448-A1 7-CYCLYLQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
WO-2012030948-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO disclosed
WO-2012030912-A1 7-CYCLYLQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO disclosed
WO-2012030894-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO disclosed
EP-1558609-A4 KINASE INHIBITORS MERCK & CO INC (US) 2008-05-28 EP disclosed
EP-1673336-A4 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2007-05-30 EP disclosed
EP-1259236-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2004-11-03 EP disclosed
WO-2004092115-A2 HYDROXAMATES AS THERAPEUTIC AGENTS AXYS PHARMACEUTICALS INC. (US) 2004-10-28 WO disclosed
WO-2004052315-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2004-06-24 WO disclosed
WO-2004041164-A2 KINASE INHIBITORS MERCK & CO., INC. (US) 2004-05-21 WO disclosed
EP-1351991-A2 TERNARY BIOMOLECULE/POLYMER/SURFACE-BASED IMMOBILIZATION SYSTEMS Schwartz, David A. (US) 2003-10-15 EP disclosed
EP-1341540-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2003-09-10 EP disclosed
EP-1259236-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2002-11-27 EP disclosed
WO-2002057422-A2 TERNARY BIOMOLECULE/POLYMER/SURFACE-BASED IMMOBILIZATION SYSTEMS SCHWARTZ DAVID A (US) 2002-07-25 WO disclosed
WO-2002045652-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2002-06-13 WO disclosed
WO-2001062252-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2001-08-30 WO disclosed