SCHEMBL1846790

SCHEMBL1846790

CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3cccc(CC(N)=O)c3)cc2)no1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 18/20 0.72
MAPK13 O15264 1/20 0.72
MAPK12 P53778 1/20 0.72
MAPK11 Q15759 1/20 0.72
MAPK14 Q16539 1/20 0.72
RIPK2 O43353 1/20 0.65
FLT3 P36888 1/20 0.61
KDR P35968 1/20 0.58
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL937729 0.85 RAF1 (0.83) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL5576394 0.85 RAF1 (0.83) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL5573447 0.84 RAF1 (1.00) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL1843679 0.84 RAF1 (0.70) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL667581 0.82 RAF1 (0.85) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL667817 0.81 RAF1 (0.80) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL1396019 0.81 RAF1 (0.64) RAF1MAPK13MAPK14KDRNPC1
SCHEMBL668890 0.81 RAF1 (0.72) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL668361 0.80 RAF1 (0.82) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL1846785 0.80 RAF1 (0.64) RAF1MAPK13MAPK12MAPK11MAPK14

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