SCHEMBL5819797

SCHEMBL5819797

CC(Nc1nccc(-c2sc(N3CCCCC3)nc2-c2ccccc2F)n1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.49
MAPK13 O15264 11/20 0.49
MAPK12 P53778 10/20 0.49
MAPK11 Q15759 10/20 0.49
KCNH2 Q12809 1/20 0.43
MAPK9 P45984 2/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
LCK P06239 1/20 0.42
LYN P07948 1/20 0.42
MAPK1 P28482 1/20 0.42
AKT2 P31751 1/20 0.42
FLT4 P35916 1/20 0.42
FLT3 P36888 1/20 0.42
FRK P42685 1/20 0.42
MAPK8 P45983 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42

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
SCHEMBL5818959 0.91 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5814407 0.88 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5823067 0.85 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5813695 0.85 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5816369 0.84 CKS1B (0.41) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5819690 0.82 ALDH1A1 (0.49) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5814841 0.82 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5813688 0.82 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5813694 0.81 KCNH2 (0.45) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5812777 0.81 KCNH2 (0.45) KCNH2MAP4K4FLT3GSK3B

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
WO-2006137658-A1 NEW SUBSTITUTED 1,3-THIAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVING IMMUNOSUPPRESSION AND INFLAMMATION INHIBITORY ACITIVITY, INTERMEDIATE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, A PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONGBU HITEK CO., LTD. (KR) 2006-12-28 WO claimed
WO-2006137658-A1 NEW SUBSTITUTED 1,3-THIAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVING IMMUNOSUPPRESSION AND INFLAMMATION INHIBITORY ACITIVITY, INTERMEDIATE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, A PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONGBU HITEK CO., LTD. (KR) 2006-12-28 WO disclosed