SCHEMBL23795646

SCHEMBL23795646

CCn1cnc(-c2ccc(F)cc2)c1-c1ccnc(S(C)(=O)=O)n1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.49
MAPK13 O15264 9/20 0.48
MAPK12 P53778 9/20 0.48
MAPK11 Q15759 9/20 0.48
TGFBR1 P36897 3/20 0.47
TGFBR2 P37173 3/20 0.47
CSNK1D P48730 1/20 0.45
CSNK1E P49674 1/20 0.45

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
SCHEMBL29841886 1.00 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL23795637 0.90 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL29841962 0.84 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL23795662 0.84 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL20550895 0.81 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL23795643 0.79 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL29841955 0.79 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL13072052 0.78 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL2410945 0.77 RAB9A (0.56) TGFBR1
SCHEMBL20550934 0.77 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11TGFBR1

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 2 patents. 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
CN-113272298-A Compounds and compositions for the treatment of respiratory diseases 墨尔本大学 2021-08-17 CN disclosed