SCHEMBL3389842

SCHEMBL3389842

Cc1ccc(-n2nc(C3(C(F)(F)F)CC3)cc2NC(=O)OCC(Cl)(Cl)Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 11/20 0.51
KCNJ5 P48544 11/20 0.51
KCNJ3 P48549 11/20 0.51
BRAF P15056 2/20 0.47
CDK8 P49336 2/20 0.40
MAPK14 Q16539 4/20 0.39
MAPK13 O15264 2/20 0.39
MAPK12 P53778 2/20 0.39
MAPK11 Q15759 2/20 0.39
CCNC P24863 1/20 0.38

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 0.87 KCNJ6 (0.57) KCNJ6KCNJ5KCNJ3CDK8MAPK14
SCHEMBL3174513 0.86 KCNJ6 (0.43) KCNJ6KCNJ5KCNJ3CDK8MAPK14
SCHEMBL4470729 0.85 KCNJ6 (0.43) KCNJ6KCNJ5KCNJ3BRAFCDK8
SCHEMBL3388865 0.85 MAPK14 (0.52) KCNJ6KCNJ5KCNJ3CDK8MAPK14
SCHEMBL1012856 0.82 KCNJ6 (0.58) KCNJ6KCNJ5KCNJ3BRAFMAPK14
SCHEMBL3390231 0.80 CDK8 (0.50) CDK8MAPK14MAPK13MAPK12MAPK11
SCHEMBL378881 0.79 CDK8 (0.63) CDK8MAPK14MAPK13MAPK12MAPK11
SCHEMBL3174282 0.79 CDK8 (0.52) CDK8MAPK14MAPK13MAPK12MAPK11
SCHEMBL3165072 0.79 CDK8 (0.45) CDK8MAPK14MAPK13MAPK12MAPK11
SCHEMBL3185420 0.78 KCNJ6 (0.56) KCNJ6KCNJ5KCNJ3CDK8

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