SCHEMBL6004758

SCHEMBL6004758

CCc1ccc(Oc2ccnc3cc(C(N)=O)c(OCc4ccccc4)cc23)c(-c2ncccn2)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.42
KDR P35968 5/20 0.42
AURKA O14965 4/20 0.42
TEK Q02763 4/20 0.42
AURKB Q96GD4 4/20 0.42
ABL1 P00519 1/20 0.42
LCK P06239 1/20 0.42
LYN P07948 1/20 0.42
RET P07949 2/20 0.42
SRC P12931 3/20 0.41
TGFBR1 P36897 3/20 0.41
IRAK4 Q9NWZ3 6/20 0.39
SYK P43405 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
SCHEMBL6004288 0.86 KDR (0.41) METKDRAURKATEKAURKB
SCHEMBL6004179 0.83 CYP3A4 (0.44)
SCHEMBL6004278 0.81 KDR (0.49) METKDRAURKATEKAURKB
SCHEMBL6004277 0.78 NPSR1 (0.43) METKDRAURKATEKAURKB
SCHEMBL6005275 0.77 PDGFRB (0.52) METKDRSRCTGFBR1
SCHEMBL6004233 0.76 SRC (0.34) SRCTGFBR1
SCHEMBL6005293 0.75 THRB (0.36) TGFBR1
SCHEMBL6004710 0.74 CYP3A4 (0.42) METKDR
SCHEMBL18525720 0.73 SYK (0.46) RETIRAK4SYK
SCHEMBL6005209 0.73 MET (0.41) METKDR

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-1724268-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-22 EP disclosed