SCHEMBL9053687

SCHEMBL9053687

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
FGFR3 P22607 9/20 0.42
KDR P35968 8/20 0.42
FGFR1 P11362 7/20 0.42
FGFR2 P21802 7/20 0.42
FGFR4 P22455 7/20 0.42
FLT3 P36888 6/20 0.42
CACNA1H O95180 2/20 0.39
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
GLA P06280 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL6617252 0.91 PDGFRB (0.50) PDGFRBPDGFRAFGFR3KDRFGFR1
SCHEMBL6620040 0.91 PDGFRB (0.50) PDGFRBPDGFRAFGFR3KDRFGFR1
SCHEMBL6619419 0.80 PDGFRB (0.47) PDGFRBPDGFRAFGFR3KDRFGFR1
SCHEMBL6617943 0.80 PDGFRB (0.47) PDGFRBPDGFRAFGFR3KDRFGFR1
SCHEMBL6616314 0.80 PDGFRB (0.45) PDGFRBPDGFRAFGFR3KDRFGFR1
SCHEMBL6621978 0.80 PDGFRB (0.45) PDGFRBPDGFRAFGFR3KDRFGFR1
SCHEMBL6617433 0.80 PDGFRB (0.45) PDGFRBPDGFRAFGFR3KDRFGFR1
SCHEMBL9053350 0.79 PDGFRB (0.39) PDGFRBPDGFRAFGFR3KDRFGFR1
SCHEMBL9059921 0.79 GRIN2B (0.38) PDGFRBPDGFRAFGFR3KDRFGFR1
SCHEMBL6615937 0.78 PDGFRB (0.43) PDGFRBPDGFRAFGFR3KDRFGFR1

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