SCHEMBL6615232

SCHEMBL6615232

COc1ccc(-c2cnc3cc4cnn(Cc5ccccc5)c4cc3n2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
GLA P06280 2/20 0.46
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
BRD4 O60885 2/20 0.45
ERBB2 P04626 1/20 0.44
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
GRIN2B Q13224 8/20 0.41
GRIN1 Q05586 4/20 0.41
KIT P10721 1/20 0.41
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
SCHEMBL6616291 0.91 GRIN2B (0.52) ALDH1A1GLAGAASMN1; SMN2BRD4
SCHEMBL9053527 0.90 BRD4 (0.41) ALDH1A1GLAGAASMN1; SMN2MAPT
SCHEMBL6619419 0.87 PDGFRB (0.47) ALDH1A1GLAGAASMN1; SMN2MAPT
SCHEMBL6616763 0.85 GRIN2B (0.47) ALDH1A1GLAGAASMN1; SMN2MAPT
Dimethylamine SCHEMBL6616891 0.84 PDGFRB (0.45) ALDH1A1GLAGAASMN1; SMN2MAPT
SCHEMBL6621978 0.84 PDGFRB (0.45) ALDH1A1GLAGAASMN1; SMN2MAPT
SCHEMBL6621734 0.84 GRIN2B (0.45) ALDH1A1GLAGAASMN1; SMN2BRD4
SCHEMBL6620040 0.84 PDGFRB (0.50) ALDH1A1GLAGAASMN1; SMN2MAPT
SCHEMBL6621864 0.83 PDGFRB (0.44) ALDH1A1GLAGAASMN1; SMN2MAPT
SCHEMBL6618297 0.83 PDGFRB (0.44) ALDH1A1GLAGAASMN1; SMN2MAPT

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