SCHEMBL6621864

SCHEMBL6621864

C=CCn1ncc2cc3ncc(-c4ccc(OC)c(F)c4)nc3cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.44
PDGFRA P16234 2/20 0.44
GRIN2B Q13224 4/20 0.40
ALDH1A1 P00352 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
GLA P06280 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
BRD4 O60885 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
PRKDC P78527 1/20 0.37
FLT3 P36888 2/20 0.36
FGFR1 P11362 2/20 0.36

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
SCHEMBL6619419 0.88 PDGFRB (0.47) PDGFRBPDGFRAGRIN2BALDH1A1SMN1; SMN2
SCHEMBL6621978 0.85 PDGFRB (0.45) PDGFRBPDGFRAGRIN2BALDH1A1SMN1; SMN2
Dimethylamine SCHEMBL6616891 0.85 PDGFRB (0.45) PDGFRBPDGFRAGRIN2BALDH1A1SMN1; SMN2
SCHEMBL6620040 0.84 PDGFRB (0.50) PDGFRBPDGFRAGRIN2BALDH1A1SMN1; SMN2
SCHEMBL6618297 0.84 PDGFRB (0.44) PDGFRBPDGFRAGRIN2BALDH1A1SMN1; SMN2
SCHEMBL6616151 0.83 PDGFRB (0.43) PDGFRBPDGFRAGRIN2BALDH1A1SMN1; SMN2
SCHEMBL6615232 0.83 ALDH1A1 (0.46) PDGFRBPDGFRAGRIN2BALDH1A1SMN1; SMN2
SCHEMBL6616763 0.83 GRIN2B (0.47) PDGFRBPDGFRAGRIN2BALDH1A1SMN1; SMN2
SCHEMBL6617370 0.83 GRIN2B (0.43) PDGFRBPDGFRAGRIN2BALDH1A1SMN1; SMN2
SCHEMBL6630468 0.81 MCHR1 (0.42) PDGFRBPDGFRAGRIN2BBRD4FLT3

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 5 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
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
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