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SCHEMBL1846785

SCHEMBL1846785

CC(C)(C)c1nnc(NC(=O)Nc2ccc(Oc3cccc(CC(N)=O)c3)cc2)o1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 14/20 0.64
▸ MAPK14 Q16539 5/20 0.45
▸ MAPK13 O15264 1/20 0.45
▸ MAPK12 P53778 1/20 0.45
▸ MAPK11 Q15759 1/20 0.45
▸ CDK8 P49336 1/20 0.41
▸ MTNR1B P49286 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
SCHEMBL1846665 0.91 RAF1 (0.62) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL1847102 0.84 RAF1 (0.60) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL8737812 0.82 RAF1 (0.69) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL8736853 0.81 RAF1 (0.66) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL8737814 0.80 RAF1 (0.67) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL1396019 0.80 RAF1 (0.64) RAF1MAPK14MAPK13CDK8
SCHEMBL1846790 0.80 RAF1 (0.72) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL14402931 0.79 RAF1 (0.68) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL1846663 0.79 RAF1 (0.61) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL1846781 0.79 RAF1 (0.63) 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