SCHEMBL6658013

SCHEMBL6658013

COc1ccc(-c2cnc3cc4cn(CCN5CCCCC5)nc4cc3n2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
FGFR3 P22607 9/20 0.41
FGFR1 P11362 8/20 0.41
FGFR2 P21802 8/20 0.41
FGFR4 P22455 8/20 0.41
KDR P35968 8/20 0.41
FLT3 P36888 5/20 0.41
HTR2C P28335 1/20 0.40
RPS6KB1 P23443 2/20 0.39
AKT1 P31749 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
F2R P25116 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 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
SCHEMBL6617433 0.86 PDGFRB (0.45) PDGFRBPDGFRAFGFR3FGFR1FGFR2
SCHEMBL6616314 0.86 PDGFRB (0.45) PDGFRBPDGFRAFGFR3FGFR1FGFR2
SCHEMBL6617943 0.85 PDGFRB (0.47) PDGFRBPDGFRAFGFR3FGFR1FGFR2
SCHEMBL6615937 0.84 PDGFRB (0.43) PDGFRBPDGFRAFGFR3FGFR1FGFR2
Dimethylamine SCHEMBL6620658 0.82 PDGFRB (0.45) PDGFRBPDGFRAFGFR3FGFR1FGFR2
SCHEMBL6630468 0.82 MCHR1 (0.42) PDGFRBPDGFRAFGFR3FGFR1FGFR2
SCHEMBL6617252 0.81 PDGFRB (0.50) PDGFRBPDGFRAFGFR3FGFR1FGFR2
SCHEMBL6618792 0.81 PDGFRB (0.44) PDGFRBPDGFRAFGFR3FGFR1FGFR2
SCHEMBL6617367 0.81 PDGFRB (0.44) PDGFRBPDGFRAFGFR3FGFR1FGFR2
SCHEMBL6617110 0.81 MET (0.44) PDGFRBPDGFRAFGFR3FGFR1FGFR2

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-0779889-B1 PYRAZOLO 3,4-g]QUINOXALINE COMPOUNDS WHICH INHIBIT PDGF RECEPTOR PROTEIN TYROSINE KINASE AVENTIS PHARMA INC (US) 2004-06-23 EP disclosed
EP-0779889-A4 PYRAZOLO 3,4-g]QUINOXALINE COMPOUNDS WHICH INHIBIT PDGF RECEPTOR PROTEIN TYROSINE KINASE RHONE POULENC RORER PHARMA (US) 2000-02-23 EP disclosed
EP-0779889-A1 PYRAZOLO 3,4-g]QUINOXALINE COMPOUNDS WHICH INHIBIT PDGF RECEPTOR PROTEIN TYROSINE KINASE RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1997-06-25 EP disclosed
US-5476851-A Administering as therapeutic agents for various disease states which are characterized by uncontrolled cellular proliferation RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1995-12-19 US disclosed