SCHEMBL6615147

SCHEMBL6615147

COc1ccc(-c2cnc3cc4cn(Cc5cccnc5)nc4cc3n2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
GLA P06280 2/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 1/20 0.41
PDGFRB P09619 2/20 0.41
PDGFRA P16234 2/20 0.41
FGFR1 P11362 3/20 0.39
FGFR2 P21802 3/20 0.39
FGFR4 P22455 3/20 0.39
FGFR3 P22607 3/20 0.39
MET P08581 1/20 0.39
KDR P35968 1/20 0.39
GRIN2B Q13224 5/20 0.39
GRIN1 Q05586 4/20 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
SCHEMBL6621734 0.92 GRIN2B (0.45) KDM4EOPRM1OPRD1ALDH1A1SMN1; SMN2
SCHEMBL6616499 0.91 ALDH1A1 (0.46) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6617943 0.84 PDGFRB (0.47) KDM4EOPRM1OPRD1ALDH1A1SMN1; SMN2
SCHEMBL6616291 0.82 GRIN2B (0.52) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6617433 0.81 PDGFRB (0.45) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6616314 0.81 PDGFRB (0.45) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
Dimethylamine SCHEMBL6620658 0.81 PDGFRB (0.45) KDM4EOPRM1OPRD1ALDH1A1SMN1; SMN2
SCHEMBL6618792 0.81 PDGFRB (0.44) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6617367 0.81 PDGFRB (0.44) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6615937 0.80 PDGFRB (0.43) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A

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