SCHEMBL8199248

SCHEMBL8199248

COc1cccc(-c2ccc3c(c2)NC(=O)C3=Cc2[nH]c(C)cc2C)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.70
RET P07949 6/20 0.67
KDR P35968 8/20 0.61
FGFR1 P11362 7/20 0.61
PDGFRB P09619 7/20 0.61
EGFR P00533 4/20 0.61
SRC P12931 3/20 0.61
FLT3 P36888 3/20 0.61
ALK Q9UM73 3/20 0.61
CSF1R P07333 2/20 0.61
FLT1 P17948 2/20 0.61
FGFR3 P22607 2/20 0.61
MAPK1 P28482 2/20 0.61
FLT4 P35916 2/20 0.61
ABL1 P00519 2/20 0.61
AURKB Q96GD4 2/20 0.61
PDPK1 O15530 2/20 0.61
MEN1 O00255 1/20 0.61
NPC1 O15118 1/20 0.61
GMNN O75496 1/20 0.61

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
SCHEMBL8199244 1.00 CHEK1 (0.70) CHEK1RETKDRFGFR1PDGFRB
SCHEMBL8211131 0.87 RET (0.73) CHEK1RETKDRFGFR1PDGFRB
SCHEMBL8211128 0.87 RET (0.73) CHEK1RETKDRFGFR1PDGFRB
SCHEMBL6326741 0.84 RET (0.63) CHEK1RETKDRFGFR1PDGFRB
SCHEMBL6326747 0.84 RET (0.63) CHEK1RETKDRFGFR1PDGFRB
SCHEMBL5431032 0.83 FGFR1 (0.77) CHEK1KDRFGFR1PDGFRBEGFR
SCHEMBL5431036 0.83 FGFR1 (0.77) CHEK1KDRFGFR1PDGFRBEGFR
SCHEMBL6863002 0.82 CHEK1 (1.00) CHEK1RETKDRFGFR1PDGFRB
SCHEMBL6862997 0.82 CHEK1 (1.00) CHEK1RETKDRFGFR1PDGFRB
SCHEMBL8205880 0.81 PDGFRB (0.72) CHEK1KDRFGFR1PDGFRBEGFR

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-1999048868-A9 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN INC (US) 2000-04-20 WO disclosed