SCHEMBL3388865

SCHEMBL3388865

Cc1ccc(-n2nc(C3(C)CCCCC3)cc2NC(=O)OCC(Cl)(Cl)Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.52
MAPK13 O15264 3/20 0.52
MAPK12 P53778 3/20 0.52
MAPK11 Q15759 2/20 0.52
KCNJ6 P48051 7/20 0.52
KCNJ5 P48544 7/20 0.52
KCNJ3 P48549 7/20 0.52
CDK8 P49336 1/20 0.40
HCK P08631 1/20 0.39
SRC P12931 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
SCHEMBL3185815 0.95 KCNJ6 (0.57) MAPK14MAPK13MAPK12MAPK11KCNJ6
SCHEMBL4470729 0.85 KCNJ6 (0.43) MAPK14MAPK13MAPK12MAPK11KCNJ6
SCHEMBL3389842 0.85 KCNJ6 (0.51) MAPK14MAPK13MAPK12MAPK11KCNJ6
SCHEMBL3174513 0.85 KCNJ6 (0.43) MAPK14MAPK13MAPK12MAPK11KCNJ6
SCHEMBL3174602 0.84 KCNJ6 (0.44) MAPK14MAPK13MAPK12MAPK11KCNJ6
SCHEMBL3176505 0.80 KCNJ6 (0.56) MAPK14KCNJ6KCNJ5KCNJ3
SCHEMBL378881 0.79 CDK8 (0.63) MAPK14MAPK13MAPK12MAPK11CDK8
SCHEMBL3176730 0.79 CDK8 (0.46) MAPK14MAPK13MAPK12MAPK11CDK8
SCHEMBL3165072 0.79 CDK8 (0.45) MAPK14MAPK13MAPK12MAPK11CDK8
SCHEMBL3184425 0.78 KCNJ6 (0.57) MAPK14KCNJ6KCNJ5KCNJ3

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
EP-1943243-B1 KINASE INHIBITORS LILLY CO ELI (US) 2010-12-29 EP disclosed