SCHEMBL5819341

SCHEMBL5819341

CSc1nccc(-c2sc(N3CCCCC3)nc2-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.43
MAPK13 O15264 2/20 0.43
MAPK12 P53778 2/20 0.43
MAPK11 Q15759 2/20 0.43
AR P10275 1/20 0.40
LMNA P02545 1/20 0.40
KCNH2 Q12809 1/20 0.39
RIPK2 O43353 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMO O15229 1/20 0.36

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
SCHEMBL5818759 0.91 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11AR
SCHEMBL5819064 0.90 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11AR
SCHEMBL5817054 0.88 KCNH2 (0.44) MAPK14LMNAKCNH2RIPK2KDM4E
SCHEMBL5816222 0.87 MAPK14 (0.48) MAPK14LMNAKCNH2RIPK2KDM4E
SCHEMBL5816550 0.86 HPGD (0.43) MAPK14LMNAKCNH2RIPK2KDM4E
SCHEMBL5812752 0.84 CKS1B (0.40) MAPK14RIPK2KMO
SCHEMBL5818696 0.84 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11AR
SCHEMBL5819248 0.81 KCNH2 (0.55) MAPK14MAPK13MAPK12MAPK11LMNA
SCHEMBL5812149 0.81 MAPK14 (0.44) MAPK14LMNAKDM4EMAPK1NPSR1
SCHEMBL5817815 0.81 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11LMNA

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