SCHEMBL5819338

SCHEMBL5819338

Fc1ccc(-c2ncsc2-c2ccnc(NC3CCCC3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
MAPK14 Q16539 1/20 0.48
MAPK8 P45983 4/20 0.47
MAPK9 P45984 4/20 0.47
PRKD3 O94806 2/20 0.47
MAP4K4 O95819 2/20 0.47
MAPK1 P28482 2/20 0.47
CSNK1A1 P48729 2/20 0.47
GSK3A P49840 2/20 0.47
GSK3B P49841 2/20 0.47
CSNK1G2 P78368 2/20 0.47
TAOK1 Q7L7X3 2/20 0.47
MINK1 Q8N4C8 2/20 0.47
PRKD2 Q9BZL6 2/20 0.47
CSNK1G1 Q9HCP0 2/20 0.47
CSNK1G3 Q9Y6M4 2/20 0.47
CLK2 P49760 1/20 0.47
AURKB Q96GD4 1/20 0.47

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
SCHEMBL5819159 0.99 MAPK13 (0.48) MAPK13MAPK12MAPK11MAPK14MAPK8
SCHEMBL5819153 0.95 MAPK14 (0.50) MAPK13MAPK12MAPK11MAPK14MAPK8
SCHEMBL5816324 0.87 BRAF (0.49) MAP4K4MAPK1GSK3BHIPK2ALK
SCHEMBL5811808 0.86 BRAF (0.48) MAPK8MAPK9MAP4K4MAPK1GSK3B
SCHEMBL5817943 0.86 EIF2AK2 (0.50) MAPK8MAPK9CDK4MAPK10CDK2
SCHEMBL5818203 0.85 EIF2AK2 (0.49) MAPK8MAPK9MAP4K4GSK3BHIPK2
SCHEMBL5813505 0.82 BRAF (0.52) MAPK13MAPK12MAPK11MAPK14MAPK8
SCHEMBL1034820 0.81 CDK4 (0.57) MAPK13MAPK12MAPK11MAPK14MAPK8
SCHEMBL5819164 0.81 CDK1 (0.46) MAPK13MAPK12MAPK14MAPK8MAPK9
SCHEMBL5818196 0.81 EIF2AK2 (0.45) MAPK8MAPK9GSK3BCLK2CDK4

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