SCHEMBL5202708

SCHEMBL5202708

Cc1cccc(-c2nc(C)sc2-c2ccnc(N)c2)c1.Cc1cccc(-c2nc(CC(=O)O)sc2-c2ccnc(N)c2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.69
IKBKB O14920 1/20 0.53
MAPK13 O15264 1/20 0.53
PRKD3 O94806 1/20 0.53
MAP4K4 O95819 1/20 0.53
EGFR P00533 1/20 0.53
MAPK1 P28482 1/20 0.53
FLT4 P35916 1/20 0.53
KDR P35968 1/20 0.53
FRK P42685 1/20 0.53
MAPK8 P45983 1/20 0.53
MAPK9 P45984 1/20 0.53
CSNK1A1 P48729 1/20 0.53
CSNK1D P48730 1/20 0.53
CSNK1E P49674 1/20 0.53
MAPK12 P53778 1/20 0.53
CSNK1G2 P78368 1/20 0.53
PTK6 Q13882 1/20 0.53
ERBB4 Q15303 1/20 0.53
MAPK11 Q15759 1/20 0.53

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
SCHEMBL3887445 0.96 MAPK14 (0.74) MAPK14IKBKBMAPK13PRKD3MAP4K4
SCHEMBL3890074 0.86 MAPK14 (0.74) MAPK14IKBKBMAPK13PRKD3MAP4K4
SCHEMBL3889480 0.84 MAPK14 (0.56) MAPK14IKBKBMAPK13PRKD3MAP4K4
SCHEMBL3887326 0.82 MAPK14 (1.00) MAPK14IKBKBMAPK13PRKD3MAP4K4
SCHEMBL1518732 0.80 MAPK14 (0.83) MAPK14IKBKBMAPK13PRKD3MAP4K4
SCHEMBL3891052 0.80 MAPK14 (0.65) MAPK14IKBKBMAPK13PRKD3MAP4K4
SCHEMBL3890898 0.79 MAPK14 (0.78) MAPK14IKBKBMAPK13PRKD3MAP4K4
SCHEMBL3888103 0.79 MAPK14 (0.76) MAPK14IKBKBMAPK13PRKD3MAP4K4
SCHEMBL3890850 0.79 MAPK14 (0.80) MAPK14IKBKBMAPK13PRKD3MAP4K4
SCHEMBL3887338 0.78 MAPK14 (0.74) MAPK14IKBKBMAPK13PRKD3MAP4K4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199124-B2 JNK inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-03 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
EP-1364949-A1 JNK INHIBITOR Takeda Chemical Industries, Ltd. (JP) 2003-11-26 EP disclosed