SCHEMBL3392597

SCHEMBL3392597

Cc1ccc(-n2nc(C3(C)CCCCC3)cc2NC(=O)N(OS(C)(=O)=O)c2cnc(N3CCN(C(=O)C(C)(C)C)CC3)c(C)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.38
MAPK13 O15264 3/20 0.38
MAPK12 P53778 3/20 0.38
MAPK11 Q15759 2/20 0.38
KCNJ6 P48051 6/20 0.38
KCNJ5 P48544 6/20 0.38
KCNJ3 P48549 6/20 0.38
HCK P08631 1/20 0.33
SRC P12931 1/20 0.33
BRAF P15056 1/20 0.31

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
SCHEMBL3388897 0.97 KCNJ6 (0.41) MAPK14MAPK13MAPK12MAPK11KCNJ6
SCHEMBL3388827 0.89 MAPK14 (0.38) MAPK14MAPK13MAPK12MAPK11KCNJ6
SCHEMBL3389381 0.85 KCNJ6 (0.40) MAPK14MAPK13MAPK12MAPK11KCNJ6
SCHEMBL3392591 0.84 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11KCNJ6
SCHEMBL3388891 0.80 KCNJ6 (0.53) MAPK14MAPK13MAPK12MAPK11KCNJ6
SCHEMBL3174433 0.75 MAPK14 (0.38) MAPK14MAPK13MAPK12MAPK11HCK
SCHEMBL3392454 0.75 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11KCNJ6
SCHEMBL3424347 0.74 KCNJ6 (0.36) MAPK14MAPK13MAPK12KCNJ6KCNJ5
SCHEMBL3388824 0.73 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11KCNJ6
SCHEMBL3388949 0.72 HTR1A (0.34) MAPK14MAPK13KCNJ6KCNJ5KCNJ3

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