SCHEMBL6617565

SCHEMBL6617565

c1ccc(-c2cnc3cc4c[nH]nc4cc3n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.62
RAB9A P51151 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
PDGFRB P09619 1/20 0.62
KDR P35968 1/20 0.62
FLT3 P36888 1/20 0.62
MAPT P10636 2/20 0.57
ALDH1A1 P00352 1/20 0.57
GLA P06280 1/20 0.57
GAA P10253 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
TLR9 Q9NR96 1/20 0.51
MAPK1 P28482 1/20 0.45
BCHE P06276 1/20 0.41
HPGD P15428 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL6215142 0.80 NPC1 (0.73) NPC1RAB9ASMN1; SMN2PDGFRBKDR
SCHEMBL6616540 0.77 NPC1 (0.66) NPC1RAB9ASMN1; SMN2PDGFRBKDR
Ag1295 SCHEMBL925674 0.77 NPC1 (1.00) NPC1RAB9ASMN1; SMN2PDGFRBKDR
SCHEMBL8499923 0.74 SMN1; SMN2 (0.69) NPC1RAB9ASMN1; SMN2PDGFRBKDR
SCHEMBL595944 0.73 SMN1; SMN2 (1.00) NPC1RAB9ASMN1; SMN2PDGFRBKDR
SCHEMBL29351353 0.73 SMN1; SMN2 (1.00) NPC1RAB9ASMN1; SMN2PDGFRBKDR
SCHEMBL7229359 0.73 NPC1 (0.58) NPC1RAB9ASMN1; SMN2PDGFRBKDR
SCHEMBL6616738 0.73 SMN1; SMN2 (0.58) NPC1RAB9ASMN1; SMN2PDGFRBKDR
Hydrochloric Acid SCHEMBL8500142 0.72 SMN1; SMN2 (0.97) NPC1RAB9ASMN1; SMN2PDGFRBKDR
SCHEMBL17656943 0.72 NPC1 (0.61) NPC1RAB9ASMN1; SMN2PDGFRBKDR

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