SCHEMBL3387984

SCHEMBL3387984

Cc1ccc(-n2nc(C3(C)CC3)cc2NC(=O)N(OS(C)(=O)=O)c2ccnc(OC3CCN(C(=O)c4c(F)cccc4F)CC3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 7/20 0.39
KCNJ5 P48544 7/20 0.39
KCNJ3 P48549 7/20 0.39
MAPK14 Q16539 10/20 0.35
MAPK12 P53778 2/20 0.35
HCK P08631 1/20 0.35
SRC P12931 1/20 0.35
MAPK13 O15264 2/20 0.33
KMT2A Q03164 1/20 0.32
NTRK1 P04629 1/20 0.32
SYK P43405 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
MAPK11 Q15759 1/20 0.32

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 0.87 MAPK14 (0.37) MAPK14MAPK12HCKMAPK13MAPK11
SCHEMBL3392522 0.87 MAPK14 (0.36) MAPK14MAPK12HCKSRCMAPK13
SCHEMBL3387978 0.85 KCNJ6 (0.49) KCNJ6KCNJ5KCNJ3MAPK14MAPK12
SCHEMBL3389381 0.82 KCNJ6 (0.40) KCNJ6KCNJ5KCNJ3MAPK14MAPK12
SCHEMBL3388827 0.80 MAPK14 (0.38) KCNJ6KCNJ5KCNJ3MAPK14MAPK12
SCHEMBL3422863 0.79 KCNJ6 (0.40) KCNJ6KCNJ5KCNJ3MAPK14MAPK12
SCHEMBL3170652 0.79 MAPK14 (0.36) MAPK14MAPK12SRCMAPK13SYK
SCHEMBL3170645 0.74 MAPK14 (0.49) MAPK14MAPK12MAPK13MAPK11
SCHEMBL4468019 0.74 KCNJ6 (0.41) KCNJ6KCNJ5KCNJ3MAPK14MAPK12
SCHEMBL4481650 0.72 MAPK14 (0.37) MAPK14MAPK12HCKSRCMAPK13

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