SCHEMBL7017029

SCHEMBL7017029

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

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.65
TEK Q02763 7/20 0.65
CDK8 P49336 4/20 0.56
BRAF P15056 3/20 0.53
MAPK14 Q16539 2/20 0.53
TNNI3K Q59H18 1/20 0.53
NTRK1 P04629 2/20 0.52
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
CDK7 P50613 1/20 0.49
CDK6 Q00534 1/20 0.49
MTOR P42345 1/20 0.49
RAF1 P04049 2/20 0.49

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
SCHEMBL7017943 0.95 KDR (0.71) KDRTEKCDK8BRAFMAPK14
SCHEMBL5349168 0.91 TEK (0.79) KDRTEKCDK8RAF1
SCHEMBL7013365 0.90 KDR (0.58) KDRTEKCDK8BRAFMAPK14
SCHEMBL7020344 0.88 TEK (0.72) KDRTEKCDK8BRAFMAPK14
SCHEMBL7015248 0.87 KDR (0.54) KDRTEKBRAFMTORRAF1
SCHEMBL7095826 0.86 KDR (0.66) KDRTEKBRAFMTOR
SCHEMBL5357494 0.86 KDR (0.86) KDRTEKBRAFMAPK14TNNI3K
SCHEMBL7014470 0.85 KDR (0.63) KDRTEKMTOR
SCHEMBL5342331 0.85 KDR (0.63) KDRTEKCDK8NTRK1KMT2A
SCHEMBL7017627 0.84 KDR (0.51) KDRTEKCDK8BRAFMTOR

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 2 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