SCHEMBL1417032

SCHEMBL1417032

Cc1ccc(C(=O)NC2CC2)cc1-n1cc(C(=O)NCc2ccccn2)c(N)n1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.51
KDM4E B2RXH2 1/20 0.48
BRD4 O60885 1/20 0.46
MAPK11 Q15759 2/20 0.45
NPC1 O15118 1/20 0.44
DRD4 P21917 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
DRD2 P14416 1/20 0.43

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
SCHEMBL1417033 0.87 MAPK14 (0.50) MAPK14BRD4MAPK11DRD4
SCHEMBL1417255 0.83 MAPK14 (0.56) MAPK14KDM4EMAPK11NPC1DRD4
SCHEMBL1417031 0.81 MAPK14 (0.51) MAPK14MAPK11
SCHEMBL1417709 0.77 MAPK14 (0.48) MAPK14KDM4E
SCHEMBL1417713 0.77 MAPK14 (0.48) MAPK14MAPK11
SCHEMBL1417073 0.77 SMYD3 (0.53) MAPK14BRD4MAPK11
SCHEMBL1417371 0.76 MAPK14 (0.48) MAPK14MAPK11NPC1
SCHEMBL2218498 0.76 MAPK14 (0.46) MAPK14KDM4EMAPK11DRD4
SCHEMBL12729698 0.74 MAPK14 (0.78) MAPK14MAPK11
SCHEMBL452756 0.73 MAPK14 (0.80) MAPK14MAPK11

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-2298743-A1 5-membered heterocycle-based P38 kinase inhibitors Novartis AG (CH) 2011-03-23 EP claimed