SCHEMBL3392453

SCHEMBL3392453

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OC3CCN(C(=O)c4c(F)cccc4F)CC3)nc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.53
MAPK13 O15264 5/20 0.52
MAPK12 P53778 3/20 0.52
MAPK11 Q15759 3/20 0.52
PTK2 Q05397 11/20 0.49
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C8 P10632 1/20 0.48
MAPK9 P45984 1/20 0.47
PTK2B Q14289 1/20 0.47
BRAF P15056 1/20 0.46

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
SCHEMBL3392836 0.92 MAPK13 (0.53) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL13528641 0.90 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3391089 0.89 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3170645 0.87 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3392838 0.87 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL13528631 0.87 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3390223 0.85 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3388852 0.84 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3171227 0.84 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3174484 0.84 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11PTK2

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