SCHEMBL6617367

SCHEMBL6617367

COc1ccc(-c2cnc3cc4cn(CC#N)nc4cc3n2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.44
PDGFRA P16234 2/20 0.44
ALDH1A1 P00352 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
KDM4E B2RXH2 3/20 0.40
GLA P06280 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KIT P10721 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
SCHEMBL6617943 0.88 PDGFRB (0.47) PDGFRBPDGFRAALDH1A1SMN1; SMN2NPC1
SCHEMBL6617433 0.85 PDGFRB (0.45) PDGFRBPDGFRAALDH1A1SMN1; SMN2NPC1
SCHEMBL6616314 0.85 PDGFRB (0.45) PDGFRBPDGFRAALDH1A1SMN1; SMN2NPC1
Dimethylamine SCHEMBL6620658 0.85 PDGFRB (0.45) PDGFRBPDGFRAALDH1A1SMN1; SMN2NPC1
SCHEMBL6618792 0.84 PDGFRB (0.44) PDGFRBPDGFRAALDH1A1SMN1; SMN2NPC1
SCHEMBL6615937 0.83 PDGFRB (0.43) PDGFRBPDGFRAALDH1A1SMN1; SMN2NPC1
SCHEMBL6620856 0.83 KIT (0.44) PDGFRBPDGFRAALDH1A1SMN1; SMN2NPC1
SCHEMBL6616499 0.83 ALDH1A1 (0.46) PDGFRBPDGFRAALDH1A1SMN1; SMN2NPC1
SCHEMBL9054053 0.83 GRIN2B (0.40) PDGFRBPDGFRAKITFLT3
SCHEMBL6617761 0.83 PDGFRB (0.43) PDGFRBPDGFRAALDH1A1SMN1; SMN2NPC1

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