SCHEMBL5819183

SCHEMBL5819183

Cc1cccc(-c2nc(N3CCN(C)CC3)sc2-c2ccnc(N[C@@H](C)c3ccccc3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.54
MAPK13 O15264 13/20 0.54
MAPK12 P53778 13/20 0.54
MAPK11 Q15759 13/20 0.54
CAMK2D Q13557 1/20 0.49
MAPK9 P45984 6/20 0.45
RAF1 P04049 3/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
SRC P12931 1/20 0.41
KDR P35968 1/20 0.41
MAPK8 P45983 1/20 0.41
BRAF P15056 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
SCHEMBL5814841 0.92 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11CAMK2D
SCHEMBL5819268 0.91 MAPK13 (0.55) MAPK14MAPK13MAPK12MAPK11CAMK2D
SCHEMBL5818817 0.90 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11CAMK2D
SCHEMBL5817836 0.89 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5819620 0.85 MAPK9 (0.59) MAPK14MAPK13MAPK12MAPK11CAMK2D
SCHEMBL5813695 0.83 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11CAMK2D
SCHEMBL5823067 0.83 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11CAMK2D
SCHEMBL5813688 0.83 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11CAMK2D
SCHEMBL5813776 0.82 MAPK14 (0.45) MAPK14BRAF
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