SCHEMBL5817836

SCHEMBL5817836

C[C@H](Nc1nccc(-c2sc(N3CCN(C)CC3)nc2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.70
MAPK13 O15264 15/20 0.70
MAPK12 P53778 15/20 0.70
MAPK11 Q15759 15/20 0.70
MAPK9 P45984 6/20 0.59
RAF1 P04049 3/20 0.54
PIM1 P11309 1/20 0.43
CDK4 P11802 1/20 0.43
CCND3 P30281 1/20 0.43
GSK3B P49841 1/20 0.43

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
SCHEMBL5815416 0.91 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5817847 0.91 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5819183 0.89 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5819478 0.87 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5819635 0.86 MAPK13 (0.62) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5818908 0.84 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5823067 0.82 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5813695 0.82 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5818977 0.82 MAPK9 (0.50) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5814841 0.81 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11MAPK9

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