SCHEMBL23795665

SCHEMBL23795665

CC(C)(C)Cn1cnc(-c2ccc(F)cc2)c1-c1ccnc(NC(=O)O)n1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.56
MAPK13 O15264 2/20 0.56
MAPK12 P53778 2/20 0.56
MAPK11 Q15759 2/20 0.56
CSNK1D P48730 4/20 0.55
CSNK1E P49674 4/20 0.55
TGFBR1 P36897 1/20 0.47
TGFBR2 P37173 1/20 0.47

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
SCHEMBL20550934 0.90 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL29842189 0.86 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL21797182 0.85 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11
SCHEMBL20550771 0.84 NR3C2 (0.57) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL20551157 0.82 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL20550936 0.82 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL29842089 0.82 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL23795663 0.82 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL28609334 0.81 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL20550768 0.80 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11CSNK1D

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-3877383-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF RESPIRATORY DISEASES The University of Melbourne (AU) 2021-09-15 EP disclosed