SCHEMBL5813602

SCHEMBL5813602

C[C@H](Nc1nccc(-c2sc(C3CCNCC3)nc2-c2cccc(F)c2)n1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 7/20 0.57
MAPK12 P53778 7/20 0.57
MAPK11 Q15759 7/20 0.57
MAPK14 Q16539 7/20 0.57
MAPK9 P45984 4/20 0.57
RAF1 P04049 2/20 0.57
KCNH2 Q12809 5/20 0.56
ACHE P22303 1/20 0.55

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
SCHEMBL5818421 0.91 MAPK13 (0.56) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL6218709 0.91 KCNH2 (0.65) MAPK9RAF1KCNH2ACHE
SCHEMBL5818632 0.91 KCNH2 (0.65) MAPK9RAF1KCNH2ACHE
SCHEMBL6218705 0.91 KCNH2 (0.65) MAPK9RAF1KCNH2ACHE
SCHEMBL5820631 0.90 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL5816218 0.89 MAPK9 (0.65) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL5824185 0.86 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL5819638 0.84 KCNH2 (0.53) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL5817342 0.84 KCNH2 (0.59) KCNH2ACHE
SCHEMBL5823207 0.84 MAPK14 (0.56) MAPK13MAPK12MAPK11MAPK14MAPK9

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