SCHEMBL7101583

SCHEMBL7101583

CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccc4[nH]c(NC(=O)O)nc4c3)cc2)no1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 17/20 0.66
MAPK14 Q16539 2/20 0.66
MAPK13 O15264 1/20 0.66
MAPK12 P53778 1/20 0.66
MAPK11 Q15759 1/20 0.66
RIPK2 O43353 1/20 0.62
KDR P35968 1/20 0.56
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
FLT3 P36888 1/20 0.51

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
SCHEMBL7102392 0.92 RAF1 (0.60) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5348217 0.92 RAF1 (0.64) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL7097935 0.85 MEN1 (0.53) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5341717 0.84 RAF1 (0.59) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5346717 0.82 SMN1; SMN2 (0.53) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5573447 0.80 RAF1 (1.00) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5342707 0.79 KDR (0.53) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL667238 0.78 RAF1 (1.00) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL668361 0.78 RAF1 (0.82) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL668459 0.77 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1341771-A2 BENZIMIDAZOLE DERIVATIVES USEFUL AS TIE-2 AND/OR VEGFR-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2003-09-10 EP claimed
WO-2002044156-A2 BENZIMIDAZOLE DERIVATIVES USEFUL AS TIE-2 AND/OR VEGFR-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2002-06-06 WO claimed
EP-1341771-A2 BENZIMIDAZOLE DERIVATIVES USEFUL AS TIE-2 AND/OR VEGFR-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2003-09-10 EP disclosed
WO-2002044156-A2 BENZIMIDAZOLE DERIVATIVES USEFUL AS TIE-2 AND/OR VEGFR-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2002-06-06 WO disclosed