SCHEMBL9054053

SCHEMBL9054053

COc1ccc(-c2cnc3cc4cn(CC(=O)O)nc4cc3n2)cc1F.COc1ccc(-c2cnc3cc4cnn(CC#N)c4cc3n2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 8/20 0.40
KIT P10721 2/20 0.37
PRKDC P78527 1/20 0.36
BRD4 O60885 1/20 0.36
KDM1A O60341 4/20 0.35
FLT3 P36888 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
CACNA1H O95180 1/20 0.34

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
SCHEMBL6620856 0.87 KIT (0.44) GRIN2BKITKDM1AFLT3PDGFRB
SCHEMBL6618297 0.87 PDGFRB (0.44) GRIN2BKITBRD4KDM1AFLT3
SCHEMBL6616763 0.84 GRIN2B (0.47) GRIN2BKITBRD4FLT3PDGFRB
SCHEMBL9060048 0.84 GRIN2B (0.41) GRIN2BKITBRD4FLT3PDGFRB
SCHEMBL6617367 0.83 PDGFRB (0.44) KITFLT3PDGFRBPDGFRA
SCHEMBL9059921 0.80 GRIN2B (0.38) GRIN2BKITBRD4FLT3PDGFRB
SCHEMBL6621978 0.79 PDGFRB (0.45) GRIN2BKITBRD4FLT3PDGFRB
SCHEMBL9053527 0.79 BRD4 (0.41) GRIN2BKITBRD4PDGFRBPDGFRA
SCHEMBL6616597 0.78 GRIN2B (0.41) GRIN2BKITFLT3PDGFRBPDGFRA
SCHEMBL6617433 0.77 PDGFRB (0.45) KITFLT3PDGFRBPDGFRA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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