SCHEMBL1847102

SCHEMBL1847102

CC(CC(N)=O)c1cccc(Oc2ccc(NC(=O)Nc3nnc(C(C)(C)C)o3)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 14/20 0.60
MAPK14 Q16539 3/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MTNR1B P49286 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
NPY5R Q15761 1/20 0.38

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
SCHEMBL1846785 0.84 RAF1 (0.64) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL1846665 0.82 RAF1 (0.62) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL8737812 0.80 RAF1 (0.69) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL1847101 0.79 RAF1 (0.60) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL8736853 0.78 RAF1 (0.66) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL8737814 0.78 RAF1 (0.67) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL14402931 0.76 RAF1 (0.68) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL1846663 0.76 RAF1 (0.61) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL1846781 0.76 RAF1 (0.63) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL938435 0.76 RAF1 (1.00) RAF1MAPK14MAPK13MAPK12MAPK11

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-2324825-A1 Aryl ureas with angiogenesis inhibiting activity Bayer Healthcare LLC (US) 2011-05-25 EP disclosed