SCHEMBL6004288

SCHEMBL6004288

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.41
AURKA O14965 4/20 0.41
MET P08581 4/20 0.41
TEK Q02763 4/20 0.41
AURKB Q96GD4 4/20 0.41
ABL1 P00519 1/20 0.41
LCK P06239 1/20 0.41
LYN P07948 1/20 0.41
IRAK4 Q9NWZ3 10/20 0.38
SRC P12931 4/20 0.38
TGFBR1 P36897 4/20 0.38
PARP1 P09874 1/20 0.36

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
SCHEMBL6004758 0.86 MET (0.42) KDRAURKAMETTEKAURKB
SCHEMBL6004233 0.81 SRC (0.34) SRCTGFBR1
SCHEMBL6004277 0.80 NPSR1 (0.43) KDRAURKAMETTEKAURKB
SCHEMBL6004278 0.80 KDR (0.49) KDRAURKAMETTEKAURKB
SCHEMBL6005275 0.79 PDGFRB (0.52) KDRMETSRCTGFBR1
SCHEMBL6005293 0.77 THRB (0.36) TGFBR1
SCHEMBL6004897 0.76 MET (0.48) KDRMET
SCHEMBL6005209 0.75 MET (0.41) KDRMET
SCHEMBL6003010 0.75 PDE3B (0.41) KDRAURKAMETTEKAURKB
SCHEMBL6004067 0.74 SLC22A12 (0.38) KDRAURKAMETTEKAURKB

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