SCHEMBL9053350

SCHEMBL9053350

COc1ccc(-c2cnc3cc4cn(C(C)=O)nc4cc3n2)cc1F.COc1ccc(-c2cnc3cc4cnn(C(C)=O)c4cc3n2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
KIT P10721 3/20 0.37
FLT3 P36888 2/20 0.36
GRIN2B Q13224 2/20 0.36
ALDH1A1 P00352 7/20 0.36
SMN1; SMN2 Q16637 6/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
KDM4E B2RXH2 3/20 0.36
GLA P06280 2/20 0.36
GAA P10253 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 3/20 0.35

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
SCHEMBL6620248 0.91 PDGFRB (0.46) PDGFRBPDGFRAKITFLT3GRIN2B
SCHEMBL6617184 0.91 PDGFRB (0.46) PDGFRBPDGFRAKITFLT3GRIN2B
SCHEMBL9053687 0.79 PDGFRB (0.43) PDGFRBPDGFRAKITFLT3ALDH1A1
SCHEMBL6617252 0.77 PDGFRB (0.50) PDGFRBPDGFRAKITFLT3ALDH1A1
SCHEMBL6620040 0.77 PDGFRB (0.50) PDGFRBPDGFRAKITFLT3GRIN2B
SCHEMBL9059921 0.76 GRIN2B (0.38) PDGFRBPDGFRAKITFLT3GRIN2B
SCHEMBL6620856 0.76 KIT (0.44) PDGFRBPDGFRAKITFLT3GRIN2B
SCHEMBL6616763 0.76 GRIN2B (0.47) PDGFRBPDGFRAKITFLT3GRIN2B
SCHEMBL9060048 0.75 GRIN2B (0.41) PDGFRBPDGFRAKITFLT3GRIN2B
SCHEMBL6617430 0.75 MET (0.44) PDGFRBPDGFRAKITFLT3GRIN2B

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
WO-1996007658-A1 PYRAZOLO[3,4-g]QUINOXALINE COMPOUNDS WHICH INHIBIT PDGF RECEPTOR PROTEIN TYROSINE KINASE RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-03-14 WO disclosed