SCHEMBL4055651

SCHEMBL4055651

CCCCc1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)n(-c2cccc(CCN)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 9/20 0.56
KCNJ5 P48544 9/20 0.56
KCNJ3 P48549 9/20 0.56
MAPK14 Q16539 5/20 0.53
EPHX2 P34913 4/20 0.45
PTGS2 P35354 4/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KLKB1 P03952 1/20 0.42

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
SCHEMBL4303575 0.85 MAPK14 (0.73) KCNJ6KCNJ5KCNJ3MAPK14
SCHEMBL4297859 0.78 MAPK14 (0.79) KCNJ6KCNJ5KCNJ3MAPK14
SCHEMBL4056080 0.78 KCNJ6 (0.53) KCNJ6KCNJ5KCNJ3MAPK14EPHX2
SCHEMBL4298758 0.75 MAPK14 (0.66) KCNJ6KCNJ5KCNJ3MAPK14
SCHEMBL4295138 0.74 MAPK14 (0.59) KCNJ6KCNJ5KCNJ3MAPK14
SCHEMBL5189629 0.74 KCNJ6 (0.49) KCNJ6KCNJ5KCNJ3MAPK14MEN1
SCHEMBL5549530 0.73 RAB9A (0.50) KCNJ6KCNJ5KCNJ3MAPK14MEN1
SCHEMBL4052031 0.73 KCNJ6 (0.60) KCNJ6KCNJ5KCNJ3MAPK14EPHX2
SCHEMBL4049614 0.73 MAPK14 (0.75) MAPK14
SCHEMBL2081709 0.73 MAPK14 (0.84) MAPK14

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