SCHEMBL7095826

SCHEMBL7095826

O=C(O)Nc1nc2cc(Oc3cccc(NC(=O)Nc4cccc(SC(F)(F)F)c4)c3)ccc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.66
TEK Q02763 8/20 0.66
TRPV1 Q8NER1 4/20 0.48
BRAF P15056 3/20 0.47
MTOR P42345 1/20 0.45

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
SCHEMBL7099685 0.95 KDR (0.73) KDRTEKTRPV1BRAF
SCHEMBL7014470 0.94 KDR (0.63) KDRTEKMTOR
SCHEMBL5359514 0.91 KDR (0.80) KDRTEK
SCHEMBL5390357 0.90 KDR (0.68) KDRTEKTRPV1BRAF
SCHEMBL5347351 0.87 KDR (0.87) KDRTEK
SCHEMBL7017029 0.86 KDR (0.65) KDRTEKBRAFMTOR
SCHEMBL5345825 0.85 KDR (0.76) KDRTEK
SCHEMBL7015248 0.83 KDR (0.54) KDRTEKBRAFMTOR
SCHEMBL5342331 0.83 KDR (0.63) KDRTEKMTOR
SCHEMBL7017627 0.82 KDR (0.51) KDRTEKBRAFMTOR

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