SCHEMBL7018064

SCHEMBL7018064

O=C(O)Nc1nc2cc(Sc3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)ccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.56
KDR P35968 5/20 0.54
TEK Q02763 3/20 0.54
MTOR P42345 2/20 0.53
MMP1 P03956 1/20 0.53
BRAF P15056 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52
NTRK1 P04629 2/20 0.52
NTRK2 Q16620 2/20 0.52
RAF1 P04049 1/20 0.48
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
MAPK14 Q16539 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
CHEK1 O14757 1/20 0.46
IKBKB O14920 1/20 0.46

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
SCHEMBL7013839 0.91 KDR (0.54) CDK8KDRTEKMTORMMP1
SCHEMBL5344391 0.90 TEK (0.68) CDK8KDRTEKMTORMMP1
SCHEMBL7017943 0.85 KDR (0.71) CDK8KDRTEKBRAFNTRK2
SCHEMBL7012558 0.83 KDR (0.55) KDRTEKMTORKMT2AMEN1
SCHEMBL14375456 0.83 TEK (0.77) KDRTEKMMP1KMT2AMEN1
SCHEMBL7017029 0.82 KDR (0.65) CDK8KDRTEKMTORBRAF
SCHEMBL5348312 0.81 TEK (0.67) KDRTEKMTORMMP1BRAF
SCHEMBL6029624 0.80 LMNA (0.65) KDRTEKMTORMMP1BRAF
SCHEMBL6235584 0.79 LMNA (0.62) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL7013365 0.79 KDR (0.58) CDK8KDRTEKBRAFMAPT

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