SCHEMBL3392522

SCHEMBL3392522

Cc1ccc(-n2nc(C(C)(C)CF)cc2NC(=O)N(OS(C)(=O)=O)c2ccnc(OC3CCN(C(=O)c4c(F)cccc4F)CC3)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.36
MAPK12 P53778 4/20 0.36
MAPK13 O15264 3/20 0.36
MAPK11 Q15759 1/20 0.36
GSK3A P49840 2/20 0.35
HCK P08631 2/20 0.34
BRAF P15056 2/20 0.34
SRC P12931 1/20 0.34
SYK P43405 1/20 0.34
PTK2B Q14289 1/20 0.34

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
SCHEMBL3180417 0.96 MAPK14 (0.37) MAPK14MAPK12MAPK13MAPK11GSK3A
SCHEMBL3387984 0.87 KCNJ6 (0.39) MAPK14MAPK12MAPK13MAPK11HCK
SCHEMBL3392519 0.86 MAPK14 (0.43) MAPK14MAPK12MAPK13MAPK11GSK3A
SCHEMBL3392556 0.84 MAPK14 (0.45) MAPK14MAPK12MAPK13MAPK11GSK3A
SCHEMBL3174433 0.83 MAPK14 (0.38) MAPK14MAPK12MAPK13MAPK11HCK
SCHEMBL3170652 0.83 MAPK14 (0.36) MAPK14MAPK12MAPK13MAPK11GSK3A
SCHEMBL4481650 0.82 MAPK14 (0.37) MAPK14MAPK12MAPK13MAPK11GSK3A
SCHEMBL3180405 0.81 MAPK14 (0.43) MAPK14MAPK12MAPK13MAPK11GSK3A
SCHEMBL3170645 0.80 MAPK14 (0.49) MAPK14MAPK12MAPK13MAPK11GSK3A
SCHEMBL3171227 0.80 MAPK14 (0.46) MAPK14MAPK12MAPK13MAPK11BRAF

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