SCHEMBL3392553

SCHEMBL3392553

Cc1ccc(-n2nc(C(C)(C(F)(F)F)C(F)(F)F)cc2NC(=O)N(OS(C)(=O)=O)c2cnc(OC3CCN(C(=O)c4ccccc4F)CC3)c(C)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.37
MAPK12 P53778 5/20 0.37
MAPK13 O15264 4/20 0.37
MAPK11 Q15759 4/20 0.37
CACNA1B Q00975 3/20 0.33
PTK2B Q14289 1/20 0.33
NR1I2 O75469 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
DDR2 Q16832 1/20 0.32
GSK3A P49840 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CDK8 P49336 1/20 0.32
SCN1A P35498 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
BRAF P15056 2/20 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
SCHEMBL3392548 0.86 MAPK14 (0.44) MAPK14MAPK12MAPK13MAPK11BRAF
SCHEMBL3178035 0.84 MAPK14 (0.46) MAPK14MAPK12MAPK13MAPK11BRAF
SCHEMBL4481650 0.79 MAPK14 (0.37) MAPK14MAPK12MAPK13MAPK11PTK2B
SCHEMBL3394279 0.79 MALT1 (0.37) MAPK14MAPK12MAPK13MAPK11GPR119
SCHEMBL3180417 0.76 MAPK14 (0.37) MAPK14MAPK12MAPK13MAPK11PTK2B
SCHEMBL3394275 0.76 MAPK14 (0.49) MAPK14MAPK12MAPK13MAPK11BRAF
SCHEMBL3392522 0.76 MAPK14 (0.36) MAPK14MAPK12MAPK13MAPK11PTK2B
SCHEMBL3170675 0.74 NPY2R (0.35) MAPK14MAPK12MAPK13MAPK11CACNA1B
SCHEMBL3388916 0.74 MAPK14 (0.38) MAPK14MAPK12MAPK13MAPK11PTK2B
SCHEMBL13528639 0.74 MAPK14 (0.51) MAPK14MAPK12MAPK13MAPK11DDR2

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