SCHEMBL4924696

SCHEMBL4924696

COCCOCC(=O)N1CCC(c2[nH]nc(-c3ccc(F)cc3)c2-c2nc(C(=O)OC(C)CN)cs2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 14/20 0.45
MAPK14 Q16539 14/20 0.45
KCNH2 Q12809 1/20 0.45
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
FAAH O00519 2/20 0.36
NAMPT P43490 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34

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
SCHEMBL6004398 0.85 MAPK11 (0.46) MAPK11MAPK14KCNH2TLR9TLR8
SCHEMBL4919415 0.84 MAPK11 (0.49) MAPK11MAPK14KCNH2TLR7
SCHEMBL6004578 0.83 MAPK11 (0.54) MAPK11MAPK14KCNH2TLR9TLR8
SCHEMBL4761930 0.81 MAPK11 (0.51) MAPK11MAPK14KCNH2TLR7IRAK4
SCHEMBL4824481 0.80 MAPK11 (0.47) MAPK11MAPK14KCNH2IRAK4CSNK1D
SCHEMBL6004581 0.79 MAPK11 (0.53) MAPK11MAPK14KCNH2IRAK4CSNK1D
SCHEMBL6004425 0.78 MAPK11 (0.56) MAPK11MAPK14KCNH2CSNK1D
SCHEMBL6004539 0.77 MAPK11 (0.51) MAPK11MAPK14KCNH2TLR7IRAK4
SCHEMBL6004379 0.77 MAPK11 (0.51) MAPK11MAPK14KCNH2TLR7
SCHEMBL4893999 0.77 MAPK11 (0.49) MAPK11MAPK14KCNH2TLR8TLR7

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