SCHEMBL23795643

SCHEMBL23795643

CCn1cnc(-c2ccc(F)cc2)c1-c1ccnc(SC)n1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.66
MAPK13 O15264 8/20 0.66
MAPK12 P53778 8/20 0.66
MAPK11 Q15759 8/20 0.66
CCNA2 P20248 1/20 0.55
CDK2 P24941 1/20 0.55
CSNK1E P49674 1/20 0.55
CDK5 Q00535 1/20 0.55
CDK5R1 Q15078 1/20 0.55
CSNK1D P48730 2/20 0.48
JAK3 P52333 1/20 0.48
TGFBR1 P36897 3/20 0.47
TGFBR2 P37173 3/20 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
SCHEMBL29841955 1.00 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11CCNA2
SCHEMBL23795638 0.90 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11CCNA2
SCHEMBL20550895 0.83 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11CCNA2
SCHEMBL23795661 0.83 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11CCNA2
SCHEMBL29842044 0.83 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11CCNA2
SCHEMBL4918512 0.80 MAPK13 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL23795646 0.79 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11CSNK1E
SCHEMBL29841886 0.79 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11CSNK1E
SCHEMBL30022945 0.77 TGFBR1 (0.60) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL20550929 0.77 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11CSNK1E

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