SCHEMBL21169981

SCHEMBL21169981

CNc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 16/20 0.79
MAPK14 Q16539 16/20 0.79
MAPK13 O15264 15/20 0.79
GCGR P47871 15/20 0.79
MAPK12 P53778 15/20 0.79
CSNK1A1 P48729 5/20 0.79
CSNK1D P48730 5/20 0.79
PRKD3 O94806 4/20 0.79
MAP4K4 O95819 4/20 0.79
FRK P42685 4/20 0.79
MAPK9 P45984 4/20 0.79
GSK3B P49841 4/20 0.79
CLK4 Q9HAZ1 3/20 0.79
PTK6 Q13882 3/20 0.79
PRKD2 Q9BZL6 3/20 0.79
ALOX5 P09917 13/20 0.72
PRKACA P17612 3/20 0.70
SLK Q9H2G2 3/20 0.70
ALDH1A1 P00352 3/20 0.70
CSNK1E P49674 3/20 0.70

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
SCHEMBL19868925 0.89 MAPK11 (1.00) MAPK11MAPK14MAPK13GCGRMAPK12
SCHEMBL15075603 0.89 MAPK11 (1.00) MAPK11MAPK14MAPK13GCGRMAPK12
SCHEMBL24634488 0.87 MAPK13 (0.79) MAPK11MAPK14MAPK13GCGRMAPK12
SCHEMBL2650684 0.85 MAPK11 (1.00) MAPK11MAPK14MAPK13GCGRMAPK12
SCHEMBL19868852 0.84 MAPK11 (0.70) MAPK11MAPK14MAPK13GCGRMAPK12
SCHEMBL4553479 0.84 ALOX5 (1.00) MAPK11MAPK14MAPK13GCGRMAPK12
SCHEMBL15987046 0.84 ALOX5 (0.74) MAPK11MAPK14MAPK13GCGRMAPK12
SCHEMBL4552316 0.83 MAPK14 (1.00) MAPK11MAPK14MAPK13GCGRMAPK12
SCHEMBL9195042 0.83 MAPK14 (1.00) MAPK11MAPK14MAPK13GCGRMAPK12
SCHEMBL2650702 0.83 MAPK11 (1.00) MAPK11MAPK14MAPK13GCGRMAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3039122-B1 GENERATION OF ENDOCRINE PROGENITOR CELLS FROM HUMAN PLURIPOTENT STEM CELLS USING SMALL MOLECULES NOVO NORDISK AS (DK) 2019-07-17 EP disclosed