SCHEMBL5818196

SCHEMBL5818196

COc1ccc(-c2ncsc2-c2ccnc(NC3CC3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 1/20 0.45
IKBKB O14920 3/20 0.42
GSK3B P49841 3/20 0.42
CDK4 P11802 1/20 0.42
MAPK6 Q16659 1/20 0.42
MKNK1 Q9BUB5 2/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CG P48736 2/20 0.41
CDK5 Q00535 1/20 0.41
ACHE P22303 1/20 0.40
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
RET P07949 1/20 0.39

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
SCHEMBL5817943 0.96 EIF2AK2 (0.50) EIF2AK2IKBKBCDK4MKNK1PIK3CA
SCHEMBL5818203 0.95 EIF2AK2 (0.49) EIF2AK2IKBKBGSK3BCDK4MAPK8
SCHEMBL5819153 0.85 MAPK14 (0.50) IKBKBGSK3BCDK4CLK2CLK4
SCHEMBL5819338 0.81 MAPK13 (0.48) GSK3BCDK4CLK2CLK4MAPK8
SCHEMBL5819159 0.80 MAPK13 (0.48) GSK3BCDK4CLK2MAPK8MAPK9
SCHEMBL5813443 0.79 MAPK14 (0.45) IKBKBGSK3BCDK4MAPK8MAPK9
SCHEMBL5817158 0.78 KCNH2 (0.58) ACHE
SCHEMBL1034547 0.77 EIF2AK2 (0.58) EIF2AK2IKBKBGSK3BCDK4PIK3CA
SCHEMBL5813440 0.77 KMT2A (0.64) IKBKBACHEMEN1KMT2A
SCHEMBL5815611 0.77 KCNH2 (0.54) IKBKBMAPK8MAPK9

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 1 patent. 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