SCHEMBL9958987

SCHEMBL9958987

O=C1Nc2ccccc2C1c1ccncn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.42
GSK3B P49841 2/20 0.42
KMT2A Q03164 1/20 0.39
TDO2 P48775 1/20 0.37
ALDH1A1 P00352 3/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.34
JAK2 O60674 1/20 0.34
KIT P10721 1/20 0.34
JAK3 P52333 1/20 0.34
MAP4K2 Q12851 1/20 0.34
ALK Q9UM73 1/20 0.34
MAPT P10636 1/20 0.33
HTR5A P47898 1/20 0.33
HTR7 P34969 1/20 0.33

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
SCHEMBL9951923 0.80 IDO1 (0.45) IDO1GSK3BKMT2ATDO2ALDH1A1
SCHEMBL15299912 0.78 IDO1 (0.41) IDO1GSK3BKMT2ATDO2ALDH1A1
SCHEMBL15299947 0.77 IDO1 (0.40) IDO1GSK3BKMT2ATDO2ALDH1A1
SCHEMBL9951927 0.76 IDO1 (0.42) IDO1GSK3BKMT2ATDO2ALDH1A1
SCHEMBL27483539 0.73 IDO1 (0.42) IDO1GSK3BKMT2ATDO2ALDH1A1
SCHEMBL27482812 0.73 IDO1 (0.42) IDO1GSK3BKMT2ATDO2ALDH1A1
SCHEMBL30831117 0.72 GSK3B (0.39) IDO1GSK3BKMT2ATDO2ALDH1A1
SCHEMBL19463096 0.72 GSK3B (0.39) IDO1GSK3BKMT2ATDO2ALDH1A1
Potassium SCHEMBL30831182 0.71 GSK3B (0.39) IDO1GSK3BKMT2ATDO2ALDH1A1
SCHEMBL29206780 0.71 GSK3B (0.39) IDO1GSK3BKMT2ATDO2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655361-B1 PROCESS FOR THE PREPARATION OF TRIAZINYL SUBSTITUTED OXINDOLES BAYER IP GMBH (DE) 2016-02-24 EP disclosed
CN-103380125-B Prepare the method for the oxindole that triazinyl replaces BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-25 CN disclosed
EP-2654421-A1 FUSED HETEROCYCLIC INDANE CARBOXAMIDE CGRP RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2013-10-30 EP disclosed
EP-2655361-A2 METHOD FOR PRODUCING TRIAZINYL-SUBSTITUTED OXINDOLES Bayer Intellectual Property GmbH (DE) 2013-10-30 EP disclosed
CN-103380125-A Method for producing triazinyl-substituted oxindoles BAYER IP GMBH 2013-10-30 CN disclosed
WO-2012084855-A2 METHOD FOR PRODUCING TRIAZINYL-SUBSTITUTED OXINDOLES BAYER CROPSCIENCE AG (DE) 2012-06-28 WO disclosed
WO-2012087777-A1 FUSED HETEROCYCLIC INDANE CARBOXAMIDE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-06-28 WO disclosed