SCHEMBL4044733

SCHEMBL4044733

COc1cc2c(cc1Br)Cc1c-2n[nH]c1Nc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 12/20 0.55
CHEK1 O14757 7/20 0.46
ABL1 P00519 1/20 0.43
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
FGFR1 P11362 1/20 0.43
SRC P12931 1/20 0.43
PDGFRA P16234 1/20 0.43
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CSNK1D P48730 1/20 0.43
CSNK1E P49674 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
CDK7 P50613 1/20 0.43
CSNK1G2 P78368 1/20 0.43
CSNK1G1 Q9HCP0 1/20 0.43
EIF2AK1 Q9BQI3 1/20 0.43

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
SCHEMBL4045095 0.92 PDGFRB (0.64) PDGFRBCHEK1ABL1LCKFYN
SCHEMBL4045537 0.89 PDGFRB (0.58) PDGFRBCHEK1ABL1LCKFYN
SCHEMBL4048239 0.88 PDGFRB (0.58) PDGFRBCHEK1ABL1LCKFYN
SCHEMBL4052087 0.85 CHEK1 (0.60) PDGFRBCHEK1
SCHEMBL4045105 0.84 PDGFRB (0.67) PDGFRBCHEK1ABL1LCKFYN
SCHEMBL4041860 0.84 PDGFRB (0.65) PDGFRBCHEK1EIF2AK1
SCHEMBL4043259 0.83 PDGFRB (0.51) PDGFRBCHEK1EIF2AK1
SCHEMBL3087060 0.81 CHEK1 (0.54) PDGFRBCHEK1
SCHEMBL4050743 0.81 CHEK1 (0.54) PDGFRBCHEK1
SCHEMBL4045920 0.81 PDGFRB (0.65) PDGFRBEIF2AK1

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
EP-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP claimed