SCHEMBL3390231

SCHEMBL3390231

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.50
MAPK14 Q16539 7/20 0.48
CCNC P24863 1/20 0.47
MAPK13 O15264 5/20 0.46
MAPK12 P53778 3/20 0.46
MAPK11 Q15759 3/20 0.46
PTK2 Q05397 6/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
JAK2 O60674 1/20 0.43
DDR2 Q16832 2/20 0.42
CYP2C8 P10632 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
SCHEMBL3174282 0.91 CDK8 (0.52) CDK8MAPK14CCNCMAPK13MAPK12
SCHEMBL378881 0.89 CDK8 (0.63) CDK8MAPK14CCNCMAPK13MAPK12
SCHEMBL3174427 0.88 CDK8 (0.53) CDK8MAPK14CCNCMAPK13MAPK12
SCHEMBL3181946 0.87 CDK8 (0.52) CDK8MAPK14CCNCMAPK13MAPK12
SCHEMBL3174490 0.85 CDK8 (0.53) CDK8MAPK14CCNCMAPK13MAPK12
SCHEMBL3777160 0.85 MAPK14 (0.57) CDK8MAPK14CCNCMAPK13MAPK12
SCHEMBL15485125 0.83 CDK8 (0.62) CDK8MAPK14CCNCMAPK13MAPK12
SCHEMBL2443743 0.83 CDK8 (0.63) CDK8MAPK14CCNCMAPK13MAPK12
SCHEMBL3165072 0.82 CDK8 (0.45) CDK8MAPK14CCNCMAPK13MAPK12
SCHEMBL3190583 0.82 MAPK14 (0.58) CDK8MAPK14CCNCMAPK13MAPK12

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