SCHEMBL6616151

SCHEMBL6616151

COc1ccc(-c2cnc3cc4cnn(CCN(C)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
GRIN2B Q13224 6/20 0.43
FGFR1 P11362 4/20 0.40
FGFR2 P21802 4/20 0.40
FGFR4 P22455 4/20 0.40
FGFR3 P22607 4/20 0.40
KDR P35968 4/20 0.40
FLT3 P36888 3/20 0.40
BRD4 O60885 1/20 0.40
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
GLA P06280 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
EGFR P00533 2/20 0.39
MAPK14 Q16539 1/20 0.39
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37

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
SCHEMBL6621978 0.88 PDGFRB (0.45) PDGFRBPDGFRAGRIN2BFGFR1FGFR2
SCHEMBL6619419 0.87 PDGFRB (0.47) PDGFRBPDGFRAGRIN2BFGFR1FGFR2
SCHEMBL6620040 0.86 PDGFRB (0.50) PDGFRBPDGFRAGRIN2BFGFR1FGFR2
SCHEMBL6618297 0.85 PDGFRB (0.44) PDGFRBPDGFRAGRIN2BFGFR1FGFR2
Dimethylamine SCHEMBL6616891 0.84 PDGFRB (0.45) PDGFRBPDGFRAGRIN2BFLT3BRD4
SCHEMBL6630468 0.84 MCHR1 (0.42) PDGFRBPDGFRAGRIN2BFGFR1FGFR2
SCHEMBL6621864 0.83 PDGFRB (0.44) PDGFRBPDGFRAGRIN2BFGFR1FGFR2
SCHEMBL6618914 0.83 GRIN2B (0.43) PDGFRBPDGFRAGRIN2BFGFR1FGFR2
SCHEMBL6621834 0.83 GRIN2B (0.43) PDGFRBPDGFRAGRIN2BFGFR1FGFR2
SCHEMBL6616763 0.83 GRIN2B (0.47) PDGFRBPDGFRAGRIN2BFLT3BRD4

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