SCHEMBL4056080

SCHEMBL4056080

CC(F)CCc1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)n(-c2cccc(CCNC(=O)C(F)(F)F)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 8/20 0.53
KCNJ5 P48544 8/20 0.53
KCNJ3 P48549 8/20 0.53
EPHX2 P34913 4/20 0.43
PTGS2 P35354 4/20 0.43
CNR1 P21554 1/20 0.41
MAPK14 Q16539 3/20 0.41
RAF1 P04049 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL4295138 0.85 MAPK14 (0.59) KCNJ6KCNJ5KCNJ3MAPK14
SCHEMBL4055651 0.78 KCNJ6 (0.56) KCNJ6KCNJ5KCNJ3EPHX2PTGS2
SCHEMBL4303828 0.76 MAPK14 (0.66) MAPK14
SCHEMBL4050232 0.75 MAPK14 (0.59) MAPK14
SCHEMBL2083700 0.75 MAPK14 (0.64) MAPK14
SCHEMBL4303575 0.73 MAPK14 (0.73) KCNJ6KCNJ5KCNJ3MAPK14
SCHEMBL2082575 0.73 MAPK14 (0.75) MAPK14
SCHEMBL4298758 0.72 MAPK14 (0.66) KCNJ6KCNJ5KCNJ3MAPK14
SCHEMBL4297859 0.71 MAPK14 (0.79) KCNJ6KCNJ5KCNJ3MAPK14
SCHEMBL4052031 0.69 KCNJ6 (0.60) KCNJ6KCNJ5KCNJ3EPHX2PTGS2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836173-A4 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS LLC (US) 2009-07-08 EP disclosed
EP-1836173-A2 ANTI-INFLAMMATORY MEDICAMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP disclosed
WO-2006081034-A2 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-08-03 WO disclosed