SCHEMBL5820847

SCHEMBL5820847

C[C@H](Nc1nccc(-c2sc(N3CCNCC3)nc2-c2cccc(Cl)c2)n1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 15/20 0.54
MAPK12 P53778 15/20 0.54
MAPK11 Q15759 15/20 0.54
MAPK14 Q16539 15/20 0.54
MAPK9 P45984 5/20 0.47
RAF1 P04049 2/20 0.46
KCNH2 Q12809 2/20 0.46
CAMK2D Q13557 1/20 0.45
IDH1 O75874 1/20 0.41

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
SCHEMBL5813688 0.92 MAPK14 (0.53) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL5819268 0.91 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL5823207 0.90 MAPK14 (0.56) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL5815416 0.88 MAPK14 (0.71) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL5817622 0.86 KCNH2 (0.62) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL5820567 0.84 KCNH2 (0.50) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL5820631 0.84 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL5819533 0.84 MAPK14 (0.43) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL5814841 0.82 MAPK14 (0.54) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL5818959 0.82 MAPK14 (0.51) 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