SCHEMBL5814841

SCHEMBL5814841

Cc1cccc(-c2nc(N3CCCCC3)sc2-c2ccnc(N[C@@H](C)c3ccccc3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.54
MAPK13 O15264 16/20 0.54
MAPK12 P53778 16/20 0.54
MAPK11 Q15759 16/20 0.54
CAMK2D Q13557 1/20 0.49
MAPK9 P45984 5/20 0.45
KCNH2 Q12809 1/20 0.42
RAF1 P04049 2/20 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
SCHEMBL5819183 0.92 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11CAMK2D
SCHEMBL5819268 0.92 MAPK13 (0.55) MAPK14MAPK13MAPK12MAPK11CAMK2D
SCHEMBL5818817 0.91 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11CAMK2D
SCHEMBL5813688 0.91 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11CAMK2D
SCHEMBL5813695 0.91 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11CAMK2D
SCHEMBL5823067 0.91 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11CAMK2D
SCHEMBL5814407 0.86 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5819690 0.84 ALDH1A1 (0.49) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5819797 0.82 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5820847 0.82 MAPK13 (0.54) MAPK14MAPK13MAPK12MAPK11CAMK2D

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