SCHEMBL4828451

SCHEMBL4828451

O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1csc(-c2c(-c3ccc(F)cc3)n[nH]c2C2CCNCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 14/20 0.52
MAPK14 Q16539 14/20 0.52
KCNH2 Q12809 1/20 0.44
MAPK13 O15264 1/20 0.37
RAF1 P04049 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK12 P53778 1/20 0.37
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
PIM3 Q86V86 2/20 0.34
PIM2 Q9P1W9 2/20 0.34
PIM1 P11309 1/20 0.34
TLR7 Q9NYK1 1/20 0.33
ILK Q13418 1/20 0.32

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
SCHEMBL4865422 0.88 MAPK14 (0.52) MAPK11MAPK14KCNH2MAPK13RAF1
SCHEMBL3373577 0.86 MAPK11 (0.59) MAPK11MAPK14KCNH2MAPK13RAF1
Isopropylamine SCHEMBL4890140 0.85 MAPK11 (0.53) MAPK11MAPK14KCNH2MAPK13RAF1
SCHEMBL4919415 0.85 MAPK11 (0.49) MAPK11MAPK14KCNH2MAPK13RAF1
SCHEMBL4762479 0.85 MAPK11 (0.49) MAPK11MAPK14KCNH2
SCHEMBL4761678 0.84 MAPK14 (0.52) MAPK11MAPK14KCNH2MAPK13RAF1
SCHEMBL4762891 0.84 MAPK11 (0.52) MAPK11MAPK14KCNH2MAPK13RAF1
SCHEMBL4761409 0.82 MAPK11 (0.52) MAPK11MAPK14KCNH2MAPK13RAF1
SCHEMBL4718804 0.82 HAO2 (0.39) MAPK11MAPK14KCNH2MAPK13MAPK12
SCHEMBL4761674 0.81 MAPK11 (0.51) MAPK11MAPK14KCNH2MAPK13RAF1

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-1871770-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS Kalypsys, Inc. (US) 2008-01-02 EP disclosed
WO-2006116355-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS KALYPSYS, INC. (US) 2006-11-02 WO disclosed