SCHEMBL6616540

SCHEMBL6616540

c1csc(-c2cnc3cc4c[nH]nc4cc3n2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.66
RAB9A P51151 5/20 0.66
PDGFRB P09619 3/20 0.57
FLT3 P36888 2/20 0.57
KIT P10721 1/20 0.57
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 4/20 0.56
HSD17B10 Q99714 3/20 0.56
HPGD P15428 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
GAA P10253 1/20 0.56
CASP1 P29466 1/20 0.56
MAPK10 P53779 1/20 0.56
CASP7 P55210 1/20 0.56
PDGFRA P16234 1/20 0.41
RPS6KB2 Q9UBS0 3/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 2/20 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
SCHEMBL6617565 0.77 NPC1 (0.62) NPC1RAB9APDGFRBFLT3KDM4E
SCHEMBL8499734 0.76 NPC1 (0.71) NPC1RAB9APDGFRBFLT3KIT
SCHEMBL6617427 0.76 NPC1 (0.62) NPC1RAB9APDGFRBFLT3KIT
SCHEMBL6618123 0.76 NPC1 (0.62) NPC1RAB9APDGFRBFLT3KIT
SCHEMBL8500124 0.74 NPC1 (0.68) NPC1RAB9APDGFRBFLT3KIT
SCHEMBL844287 0.73 PDGFRB (1.00) NPC1RAB9APDGFRBFLT3KIT
SCHEMBL30241126 0.73 PDGFRB (1.00) NPC1RAB9APDGFRBFLT3KIT
SCHEMBL844223 0.73 PDGFRB (1.00) NPC1RAB9APDGFRBFLT3KIT
SCHEMBL31393433 0.73 NPC1 (1.00) NPC1RAB9APDGFRBFLT3KIT
SCHEMBL708998 0.73 NPC1 (1.00) NPC1RAB9APDGFRBFLT3KIT

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