SCHEMBL4824481

SCHEMBL4824481

C#CC(N)OC(=O)c1csc(-c2c(-c3ccc(F)cc3)n[nH]c2C2CCN(C(=O)CO)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 13/20 0.47
MAPK14 Q16539 13/20 0.47
KCNH2 Q12809 1/20 0.45
EGFR P00533 2/20 0.39
MAP4K4 O95819 1/20 0.39
PRKACA P17612 1/20 0.39
FRK P42685 1/20 0.39
MAPK9 P45984 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
MINK1 Q8N4C8 1/20 0.39
DPP4 P27487 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
BTK Q06187 2/20 0.33
BMX P51813 1/20 0.33
ITK Q08881 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
CCNT1 O60563 1/20 0.33

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
SCHEMBL4824475 0.86 MAPK11 (0.51) MAPK11MAPK14KCNH2EGFRMAP4K4
SCHEMBL6004425 0.84 MAPK11 (0.56) MAPK11MAPK14KCNH2EGFRMAP4K4
SCHEMBL6002821 0.83 MAPK11 (0.49) MAPK11MAPK14KCNH2EGFRMAP4K4
SCHEMBL4761930 0.83 MAPK11 (0.51) MAPK11MAPK14KCNH2EGFRMAP4K4
SCHEMBL6004539 0.80 MAPK11 (0.51) MAPK11MAPK14KCNH2EGFRMAP4K4
SCHEMBL4924696 0.80 MAPK11 (0.45) MAPK11MAPK14KCNH2CSNK1DIRAK4
SCHEMBL4761929 0.79 MAPK11 (0.50) MAPK11MAPK14KCNH2EGFRMAP4K4
SCHEMBL6004578 0.78 MAPK11 (0.54) MAPK11MAPK14KCNH2CSNK1DIRAK4
SCHEMBL4919415 0.76 MAPK11 (0.49) MAPK11MAPK14KCNH2MAPK9
SCHEMBL6004581 0.75 MAPK11 (0.53) MAPK11MAPK14KCNH2CSNK1DIRAK4

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