SCHEMBL4035972

SCHEMBL4035972

CNC(=O)c1cc(COc2nnc(Nc3cccc(OC)c3)c3ccoc23)ccn1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.73
PDGFRB P09619 2/20 0.73
KIT P10721 2/20 0.73
FLT4 P35916 1/20 0.73
ILK Q13418 1/20 0.73
MAP3K20 Q9NYL2 1/20 0.73
FLT1 P17948 1/20 0.44
AURKA O14965 1/20 0.42
CSF1R P07333 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 2/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
GRM4 Q14833 1/20 0.40
CYP1A2 P05177 1/20 0.38
SGMS2 Q8NHU3 1/20 0.38

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
SCHEMBL2200989 0.91 KDR (0.82) KDRPDGFRBKITFLT4ILK
SCHEMBL4035151 0.90 KDR (0.75) KDRPDGFRBKITFLT4ILK
SCHEMBL4037772 0.90 KDR (0.83) KDRPDGFRBKITFLT4ILK
SCHEMBL4035475 0.89 KDR (0.82) KDRPDGFRBKITFLT4ILK
SCHEMBL4035178 0.86 KIT (0.84) KDRPDGFRBKITFLT4ILK
SCHEMBL4042267 0.86 KIT (0.80) KDRPDGFRBKITFLT4ILK
SCHEMBL4037825 0.86 KIT (0.86) KDRPDGFRBKITFLT4ILK
SCHEMBL4037065 0.86 KIT (0.75) KDRPDGFRBKITFLT4ILK
SCHEMBL4038778 0.86 KIT (0.69) KDRPDGFRBKITFLT4ILK
SCHEMBL4037126 0.85 KIT (0.85) KDRPDGFRBKITFLT4ILK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1228063-B1 SUBSTITUTED PYRIDINES AND PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER CORP (US) 2009-02-11 EP claimed