SCHEMBL6630468

SCHEMBL6630468

COc1ccc(-c2cnc3cc4cnn(CCN5CCCCC5)c4cc3n2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.42
SIGMAR1 Q99720 2/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
FGFR3 P22607 6/20 0.41
FGFR1 P11362 5/20 0.41
FGFR2 P21802 5/20 0.41
FGFR4 P22455 5/20 0.41
KDR P35968 5/20 0.41
FLT3 P36888 2/20 0.41
F2R P25116 1/20 0.38
BRD4 O60885 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
HTR2C P28335 1/20 0.38
GRIN2B Q13224 1/20 0.38

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
SCHEMBL6621978 0.86 PDGFRB (0.45) PDGFRBPDGFRAFGFR3FGFR1FGFR2
SCHEMBL6619419 0.85 PDGFRB (0.47) PDGFRBPDGFRAFGFR3FGFR1FGFR2
SCHEMBL6616151 0.84 PDGFRB (0.43) PDGFRBPDGFRAFGFR3FGFR1FGFR2
SCHEMBL6620040 0.83 PDGFRB (0.50) PDGFRBPDGFRAFGFR3FGFR1FGFR2
Dimethylamine SCHEMBL6616891 0.82 PDGFRB (0.45) PDGFRBPDGFRAFLT3BRD4GRIN2B
SCHEMBL6658013 0.82 PDGFRB (0.41) PDGFRBPDGFRAFGFR3FGFR1FGFR2
SCHEMBL6621864 0.81 PDGFRB (0.44) PDGFRBPDGFRAFGFR3FGFR1FGFR2
SCHEMBL6618297 0.81 PDGFRB (0.44) PDGFRBPDGFRAFGFR3FGFR1FGFR2
SCHEMBL6618914 0.81 GRIN2B (0.43) PDGFRBPDGFRAFGFR3FGFR1FGFR2
SCHEMBL6621834 0.81 GRIN2B (0.43) PDGFRBPDGFRAFGFR3FGFR1FGFR2

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