SCHEMBL5812705

SCHEMBL5812705

C[C@H](Nc1nccc(-c2sc(C3(O)CCNCC3)nc2-c2cccc(Cl)c2)n1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.45
MAPK13 O15264 12/20 0.45
MAPK12 P53778 12/20 0.45
MAPK11 Q15759 12/20 0.45
MAPK9 P45984 5/20 0.45
RAF1 P04049 2/20 0.45
IDH1 O75874 1/20 0.40
CAMK2D Q13557 2/20 0.39
PLK1 P53350 1/20 0.39

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
SCHEMBL5819768 0.91 CAMK2D (0.47) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5819170 0.91 CAMK2D (0.47) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5817598 0.90 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5819507 0.88 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5814561 0.86 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5815614 0.85 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5813038 0.83 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5819871 0.83 AKT3 (0.41) MAPK14RAF1CAMK2D
SCHEMBL5815968 0.83 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5819084 0.83 IKBKB (0.46) MAPK9CAMK2DPLK1

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 1 patent. 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 disclosed