SCHEMBL3389381

SCHEMBL3389381

Cc1ccc(-n2nc(C3(C)CC3)cc2NC(=O)N(OS(C)(=O)=O)c2cnc(N3CCN(C(=O)c4c(F)cccc4F)CC3)c(C)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 7/20 0.40
KCNJ5 P48544 7/20 0.40
KCNJ3 P48549 7/20 0.40
MAPK14 Q16539 9/20 0.36
MAPK13 O15264 3/20 0.36
MAPK12 P53778 3/20 0.35
HCK P08631 1/20 0.35
SRC P12931 1/20 0.35
ABL1 P00519 2/20 0.35
BCR P11274 2/20 0.35
MAPK11 Q15759 2/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL3388827 0.97 MAPK14 (0.38) KCNJ6KCNJ5KCNJ3MAPK14MAPK13
SCHEMBL3388897 0.88 KCNJ6 (0.41) KCNJ6KCNJ5KCNJ3MAPK14MAPK13
SCHEMBL3174433 0.86 MAPK14 (0.38) MAPK14MAPK13MAPK12HCKSRC
SCHEMBL3392597 0.85 MAPK14 (0.38) KCNJ6KCNJ5KCNJ3MAPK14MAPK13
SCHEMBL3389372 0.85 KCNJ6 (0.53) KCNJ6KCNJ5KCNJ3MAPK14MAPK13
SCHEMBL3422863 0.84 KCNJ6 (0.40) KCNJ6KCNJ5KCNJ3MAPK14MAPK13
SCHEMBL3387984 0.82 KCNJ6 (0.39) KCNJ6KCNJ5KCNJ3MAPK14MAPK13
SCHEMBL3388824 0.82 MAPK14 (0.49) KCNJ6KCNJ5KCNJ3MAPK14MAPK13
SCHEMBL4462821 0.78 KCNJ6 (0.51) KCNJ6KCNJ5KCNJ3MAPK14MAPK13
SCHEMBL3390681 0.77 KCNJ6 (0.41) KCNJ6KCNJ5KCNJ3MAPK14MAPK13

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