SCHEMBL6616499

SCHEMBL6616499

COc1ccc(-c2cnc3cc4cn(Cc5ccccc5)nc4cc3n2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
GLA P06280 2/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PDGFRB P09619 2/20 0.43
PDGFRA P16234 2/20 0.43
ERBB2 P04626 1/20 0.42
KIT P10721 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39

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
SCHEMBL6615147 0.91 KDM4E (0.42) ALDH1A1SMN1; SMN2GLAGAAMAPT
SCHEMBL6617943 0.87 PDGFRB (0.47) ALDH1A1SMN1; SMN2GLAGAAMAPT
SCHEMBL9053527 0.87 BRD4 (0.41) ALDH1A1SMN1; SMN2GLAGAAMAPT
SCHEMBL6620856 0.85 KIT (0.44) ALDH1A1SMN1; SMN2GLAGAAMAPT
Dimethylamine SCHEMBL6620658 0.84 PDGFRB (0.45) ALDH1A1SMN1; SMN2GLAGAAMAPT
SCHEMBL6617433 0.84 PDGFRB (0.45) ALDH1A1SMN1; SMN2GLAGAAMAPT
SCHEMBL6616314 0.84 PDGFRB (0.45) ALDH1A1SMN1; SMN2GLAGAAMAPT
SCHEMBL6621734 0.84 GRIN2B (0.45) ALDH1A1SMN1; SMN2GLAGAAPDGFRB
SCHEMBL6618792 0.83 PDGFRB (0.44) ALDH1A1SMN1; SMN2GLAGAAMAPT
SCHEMBL6617367 0.83 PDGFRB (0.44) ALDH1A1SMN1; SMN2GLAGAAMAPT

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