SCHEMBL7097935

SCHEMBL7097935

CC(C)(C)c1cc(NC(=O)Nc2ccc(Sc3ccc4[nH]c(NC(=O)O)nc4c3)cc2)no1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPK14 Q16539 2/20 0.52
FLT3 P36888 14/20 0.51
RAF1 P04049 3/20 0.50
MAPK13 O15264 1/20 0.50
MAPK12 P53778 1/20 0.50
MAPK11 Q15759 1/20 0.50
CSF1R P07333 2/20 0.49
KDR P35968 1/20 0.47

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
SCHEMBL5342707 0.91 KDR (0.53) MEN1NPC1RAB9AKMT2AMAPK14
SCHEMBL7101583 0.85 RAF1 (0.66) MEN1NPC1RAB9AKMT2AMAPK14
SCHEMBL7102392 0.80 RAF1 (0.60) MEN1NPC1RAB9AKMT2AMAPK14
SCHEMBL7104626 0.78 MEN1 (0.49) MEN1RAB9AKMT2AMAPK14KDR
SCHEMBL7013839 0.78 KDR (0.54) MEN1KMT2AMAPK14RAF1KDR
SCHEMBL5348217 0.78 RAF1 (0.64) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL668678 0.77 FLT3 (0.73) MEN1NPC1RAB9AKMT2AMAPK14
SCHEMBL7018064 0.76 CDK8 (0.56) MEN1RAB9AKMT2AMAPK14FLT3
SCHEMBL6235584 0.75 LMNA (0.62) MEN1NPC1RAB9AKMT2AMAPK14
SCHEMBL7102856 0.75 MEN1 (0.47) MEN1KMT2AMAPK14KDR

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