SCHEMBL4042880

SCHEMBL4042880

COc1cc2c(cc1O)C(O)c1c-2n[nH]c1Nc1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.43
ABL1 P00519 1/20 0.43
FYN P06241 1/20 0.43
PDGFRB P09619 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
BRAF P15056 2/20 0.39
RAF1 P04049 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
SCHEMBL4040115 0.82 LCK (0.48) LCKABL1FYNPDGFRBFGFR1
SCHEMBL4042440 0.80 LCK (0.46) LCKABL1FYNPDGFRBFGFR1
SCHEMBL4050586 0.78 LCK (0.45) LCKABL1FYNPDGFRBFGFR1
SCHEMBL4043150 0.77 PDGFRB (0.57) LCKABL1FYNPDGFRBFGFR1
SCHEMBL4047952 0.75 PDGFRB (0.57) LCKABL1FYNPDGFRBFGFR1
SCHEMBL4046330 0.73 LCK (0.37) LCKABL1FYNPDGFRBFGFR1
SCHEMBL4044788 0.73 FBP1 (0.47) LCKABL1FYNPDGFRBFGFR1
SCHEMBL4041829 0.72 FADS1 (0.42) LCKABL1FYNPDGFRBFGFR1
SCHEMBL4041188 0.70 KDR (0.35) LCKABL1FYNPDGFRBFGFR1
SCHEMBL4045373 0.70 PDGFRB (0.47) ABL1PDGFRBSRCKDREGFR

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-1689720-B1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA SA (FR) 2009-04-15 EP disclosed