SCHEMBL7102856

SCHEMBL7102856

O=C(O)Nc1nc2cc(Sc3ccc(NC(=O)Nc4cc(Cl)ccc4Cl)cc3)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDR P35968 4/20 0.46
TEK Q02763 3/20 0.46
MMP1 P03956 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
GRIK1 P39086 8/20 0.43
NR1I2 O75469 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPK14 Q16539 1/20 0.41
IGF1R P08069 1/20 0.39
NTRK1 P04629 1/20 0.39
NTRK2 Q16620 1/20 0.39
PDGFRA P16234 1/20 0.39

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
SCHEMBL5347361 0.90 TEK (0.58) MEN1KMT2AKDRTEKMMP1
SCHEMBL7099970 0.84 MEN1 (0.47) MEN1KMT2AKDRTEKCA12
SCHEMBL7104626 0.80 MEN1 (0.49) MEN1KMT2AKDRTEKMMP1
SCHEMBL7013839 0.80 KDR (0.54) MEN1KMT2AKDRTEKMMP1
SCHEMBL5345304 0.79 TEK (0.72) MEN1KMT2AKDRTEKMMP1
SCHEMBL7101422 0.78 MEN1 (0.54) MEN1KMT2AKDRTEKMMP1
SCHEMBL7098408 0.78 KDR (0.51) MEN1KMT2AKDRTEKGRIK1
SCHEMBL7101420 0.78 MEN1 (0.54) MEN1KMT2AKDRTEKMMP1
SCHEMBL26113879 0.78 CHEK2 (0.47) MEN1KMT2AKDRTEKMMP1
Hydrochloric Acid SCHEMBL5346759 0.78 MMP1 (0.73) MEN1KMT2AKDRTEKMMP1

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