SCHEMBL2113156

SCHEMBL2113156

[CH]1Nc2ccncc2N1

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
SCHEMBL2150032 0.84 IDO1 (0.36)
SCHEMBL7490282 0.72 GAA (0.32)
Hydrochloric Acid SCHEMBL11065005 0.70 GAA (0.32)
SCHEMBL2150570 0.68
SCHEMBL1966927 0.68 CHRNB2 (0.41)
SCHEMBL16037386 0.68
SCHEMBL15326873 0.68 IDO1 (0.41)
SCHEMBL6847268 0.67
SCHEMBL31050976 0.67 MAPT (0.59)
SCHEMBL25434056 0.65 CHRNB2 (0.39)

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524465-B2 Agonists of bitter taste receptors and uses thereof DEUTSCHES INSTITUT FUER ERNAEHRUNGSFORSCHUNG POTSDAM-REHBRUECKE (DE) 2013-09-03 US disclosed
US-20120309703-A1 AGONISTS OF BITTER TASTE RECEPTORS AND USES THEREOF DEUTSCHES INSTITUT FUER ERNAEHRUNGSFORSCHUNG POTSDAM-REHBRUECKE (DE) 2012-12-06 US disclosed
US-8309314-B2 Agonists of bitter taste receptors and uses thereof DEUTSCHES INSTITUT FUER ERNAEHRUNGSFORSCHUNG POTSDAM-REHBRUECKE (DE) 2012-11-13 US disclosed
US-8158442-B2 Antagonists of bitter taste receptors and uses thereof Deutsches Institut Fuer Ernaehrungsforschung Potsdam-Rehbruecke-Stiftung Des Oefentlichen Rechts (DE) 2012-04-17 US disclosed
US-20100130498-A1 AGONISTS OF BITTER TASTE RECEPTORS AND USES THEREOF DEUTSHES INSTITUT FUR ERNAHRUNGSFORSCHUNG POTSDAM- REHBRUCKE (DE) 2010-05-27 US disclosed
US-20100113548-A1 ANTAGONISTS OF BITTER TASTE RECEPTORS AND USES THEREOF DEUTSCHES INSTITUT FUR ERNAHRUNGSFORSCHUNG POTSDAM-REHBRUCKE (DE) 2010-05-06 US disclosed
EP-2137530-A2 ANTAGONISTS OF BITTER TASTE RECEPTORS AND USES THEREOF Deutsches Institut für Ernährungsforschung Potsdam -Rehbrücke Stiftung des Öffentlichen Rechts (DE) 2009-12-30 EP disclosed
EP-2132564-A2 AGONISTS OF BITTER TASTE RECEPTORS AND USES THEREOF Deutsches Institut für Ernährungsforschung Potsdam -Rehbrücke Stiftung des Öffentlichen Rechts (DE) 2009-12-16 EP disclosed
WO-2008128730-A2 ANTAGONISTS OF BITTER TASTE RECEPTORS AND USES THEREOF DEUTSCHES INSTITUT FÜR ERNÄHRUNGSFORSCHUNG POTSDAM-REHBRÜCKE STIFTUNG DES ÖFFENTLICHEN RECHTS (DE) 2008-10-30 WO disclosed
EP-1983342-A1 Antogonists of bitter taste receptors and uses thereof Deutsches Institut für Ernährungsforschung Potsdam -Rehbrücke-Stiftung des öffentlichen Rechts- Vertreten durch den Stiftungsvorstand (DE) 2008-10-22 EP disclosed
WO-2008119527-A2 AGONISTS OF BITTER TASTE RECEPTORS AND USES THEREOF DEUTSCHES INSTITUT FÜR ERNÄHRUNGSFORSCHUNG POSTDAM-REHBRÜCKE STIFTUNG DES ÖFFENTLICHEN RECHTS (DE) 2008-10-09 WO disclosed
US-6770639-B2 CELL PROLIFERATIVE; AUTOIMMUNE DISEASES; ANTIALLERGENS; ANTIINFLAMMATORY AGENTS; ANTICANCER AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-08-03 US disclosed
US-6506769-B2 Pyridine -imidazole, -thiazole or -oxazole derivatives; treating autoimmune diseases, chronic inflammatory diseases, allergic diseases, transplant rejection and cancer BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-01-14 US disclosed
US-20020016460-A1 Heterocyclic compounds useful as inhibitors of tyrosine kinases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-02-07 US disclosed