SCHEMBL7102392

SCHEMBL7102392

CC(C)(C)c1cc(NC(=O)Nc2cccc(Oc3ccc4[nH]c(NC(=O)O)nc4c3)c2)no1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 17/20 0.60
MAPK13 O15264 1/20 0.60
MAPK12 P53778 1/20 0.60
MAPK11 Q15759 1/20 0.60
MAPK14 Q16539 1/20 0.60
NTRK1 P04629 2/20 0.54
RET P07949 2/20 0.54
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
BRAF P15056 3/20 0.53
RIPK2 O43353 1/20 0.52

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
SCHEMBL5341717 0.92 RAF1 (0.59) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL7101583 0.92 RAF1 (0.66) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL5348217 0.84 RAF1 (0.64) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL5342331 0.81 KDR (0.63) NTRK1MEN1NPC1RAB9AKMT2A
SCHEMBL7017029 0.80 KDR (0.65) RAF1MAPK14NTRK1MEN1RAB9A
Hydrochloric Acid SCHEMBL5345130 0.80 KDR (0.62) NTRK1MEN1NPC1RAB9AKMT2A
SCHEMBL7097935 0.80 MEN1 (0.53) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL7013996 0.79 KDR (0.50) RAF1BRAF
SCHEMBL7095826 0.78 KDR (0.66) BRAF
SCHEMBL5349129 0.78 KDR (0.74) RAF1BRAF

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