SCHEMBL7012558

SCHEMBL7012558

O=C(O)Nc1nc2cc(Sc3ccc(NC(=O)Nc4cccc(Oc5ccccc5)c4)cc3)ccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.55
TEK Q02763 10/20 0.55
MEN1 O00255 1/20 0.47
NR1I2 O75469 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPK14 Q16539 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
MTOR P42345 1/20 0.46
IDH1 O75874 1/20 0.43
NTRK1 P04629 1/20 0.43
RAF1 P04049 1/20 0.42

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
SCHEMBL5348784 0.92 KDR (0.67) KDRTEKMEN1NR1I2LMNA
SCHEMBL7014470 0.84 KDR (0.63) KDRTEKMTOR
SCHEMBL7104626 0.83 MEN1 (0.49) KDRTEKMEN1NR1I2LMNA
SCHEMBL7018064 0.83 CDK8 (0.56) KDRTEKMEN1KMT2AMAPK14
SCHEMBL6029624 0.82 LMNA (0.65) KDRTEKMEN1NR1I2LMNA
SCHEMBL5341929 0.82 KDR (0.78) KDRTEKRAF1
SCHEMBL5346860 0.82 KDR (0.78) KDRTEKRAF1
SCHEMBL6235584 0.81 LMNA (0.62) MEN1NR1I2LMNACYP1A2KMT2A
SCHEMBL7099685 0.81 KDR (0.73) KDRTEKRAF1
SCHEMBL5342331 0.81 KDR (0.63) KDRTEKMEN1LMNAKMT2A

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