SCHEMBL6002935

SCHEMBL6002935

COC(=O)c1cc2c(Oc3cc4cccnc4nc3-c3ccccc3)ccnc2cc1OC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRC P12931 4/20 0.48
TGFBR1 P36897 4/20 0.48
KDR P35968 8/20 0.46
AURKA O14965 4/20 0.46
MET P08581 4/20 0.46
TEK Q02763 4/20 0.46
AURKB Q96GD4 4/20 0.46
AXL P30530 3/20 0.45
PDGFRA P16234 2/20 0.44
CYP3A4 P08684 1/20 0.43
FGFR2 P21802 1/20 0.43
LCK P06239 3/20 0.43
KIT P10721 1/20 0.42
ABL1 P00519 1/20 0.42
LYN P07948 1/20 0.42

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
SCHEMBL6004737 0.96 SRC (0.48) SRCTGFBR1KDRAURKAMET
SCHEMBL6004924 0.91 KDR (0.57) SRCTGFBR1KDRAURKAMET
SCHEMBL6004243 0.90 SRC (0.41) SRCTGFBR1KDRAURKAMET
SCHEMBL3895779 0.87 FGFR2 (0.53) SRCTGFBR1KDRAXLPDGFRA
SCHEMBL6005288 0.87 KDR (0.52) SRCTGFBR1KDRAURKAMET
Benzylamine SCHEMBL6004866 0.86 KDR (0.46) SRCTGFBR1KDRAURKAMET
SCHEMBL6005276 0.85 SRC (0.44) SRCTGFBR1KDRAXLPDGFRA
SCHEMBL6002948 0.84 FGFR2 (0.47) SRCTGFBR1KDRAXLPDGFRA
SCHEMBL6004812 0.84 FGFR2 (0.44) SRCTGFBR1KDRMETAXL
SCHEMBL6004093 0.84 MET (0.45) SRCTGFBR1KDRMETAXL

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