SCHEMBL7020344

SCHEMBL7020344

O=C(O)Nc1nc2cc(Oc3ccc(NC(=S)Nc4cccc(C(F)(F)F)c4)cc3)ccc2[nH]1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TEK Q02763 10/20 0.72
KDR P35968 10/20 0.72
BRAF P15056 3/20 0.51
MAPK14 Q16539 2/20 0.51
TNNI3K Q59H18 1/20 0.51
CDK8 P49336 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
CDK7 P50613 1/20 0.47
CDK6 Q00534 1/20 0.47
RAF1 P04049 4/20 0.47
KDM4E B2RXH2 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 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
SCHEMBL7017943 0.93 KDR (0.71) TEKKDRBRAFMAPK14TNNI3K
SCHEMBL5345277 0.91 TEK (0.87) TEKKDRALDH1A1GAAMAPT
SCHEMBL7017029 0.88 KDR (0.65) TEKKDRBRAFMAPK14TNNI3K
SCHEMBL7098753 0.85 KDR (0.57) TEKKDRALDH1A1MAPTRAF1
SCHEMBL5357494 0.84 KDR (0.86) TEKKDRBRAFMAPK14TNNI3K
SCHEMBL7013365 0.82 KDR (0.58) TEKKDRBRAFMAPK14TNNI3K
SCHEMBL7099685 0.79 KDR (0.73) TEKKDRBRAFRAF1
SCHEMBL7012448 0.79 TEK (0.74) TEKKDRRAF1
SCHEMBL5349168 0.79 TEK (0.79) TEKKDRCDK8RAF1
SCHEMBL5345273 0.78 TEK (0.69) TEKKDRRAF1

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