SCHEMBL6005494

SCHEMBL6005494

COc1cc2nccc(Oc3cc(C)c(C)nc3-c3ccccn3)c2cc1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.55
AURKA O14965 4/20 0.55
MET P08581 4/20 0.55
TEK Q02763 4/20 0.55
AURKB Q96GD4 4/20 0.55
TGFBR1 P36897 11/20 0.50
SRC P12931 5/20 0.50
ABL1 P00519 1/20 0.48
LCK P06239 1/20 0.48
LYN P07948 1/20 0.48
RET P07949 1/20 0.44
AXL P30530 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
SCHEMBL6004330 0.96 TGFBR1 (0.50) KDRAURKAMETTEKAURKB
SCHEMBL6002941 0.90 NPSR1 (0.46) KDRAURKAMETTEKAURKB
SCHEMBL3898480 0.87 TGFBR1 (0.56) TGFBR1SRC
SCHEMBL6004293 0.85 TGFBR1 (0.52) METTGFBR1SRCAXL
SCHEMBL6004942 0.84 TGFBR1 (0.55) TGFBR1SRC
SCHEMBL6004767 0.84 TGFBR1 (0.50) KDRAURKAMETTEKAURKB
SCHEMBL3900624 0.84 TGFBR1 (0.52) TGFBR1SRCAXL
SCHEMBL6004708 0.84 TGFBR1 (0.52) KDRMETTGFBR1SRC
SCHEMBL6004719 0.84 TGFBR1 (0.52) TGFBR1SRC
SCHEMBL6004134 0.82 KDM4E (0.52) TGFBR1SRC

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