SCHEMBL6004743

SCHEMBL6004743

COc1cc2ncnc(Oc3cc(C)c(C)nc3-c3cccc(C)n3)c2cc1OC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.50
EGFR P00533 3/20 0.50
LCK P06239 2/20 0.50
RET P07949 1/20 0.50
KIF5B P33176 1/20 0.50
TRPA1 O75762 1/20 0.46
CSF1R P07333 2/20 0.45
PDGFRB P09619 1/20 0.45
FLT4 P35916 1/20 0.45
FLT3 P36888 1/20 0.45
AURKA O14965 1/20 0.45
MET P08581 1/20 0.45
TEK Q02763 1/20 0.45
AURKB Q96GD4 1/20 0.45
BRAF P15056 2/20 0.44
RAF1 P04049 1/20 0.44
KDM1A O60341 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
SCHEMBL6004691 0.87 TGFBR1 (0.52) KDREGFRLCKRETKIF5B
SCHEMBL3901872 0.85 SRC (0.51) EGFRPDGFRB
SCHEMBL3895797 0.83 KDR (0.47) KDREGFRLCKRETKIF5B
SCHEMBL6004216 0.82 LCK (0.50) KDREGFRLCKRETKIF5B
SCHEMBL3895724 0.79 MET (0.45) KDRMET
SCHEMBL6002913 0.79 ATM (0.49) KDREGFRLCKRETKIF5B
SCHEMBL3896307 0.78 SRC (0.46) KDREGFRLCKAURKAMET
SCHEMBL3896680 0.78 SRC (0.44) EGFRPDGFRB
SCHEMBL3895861 0.77 TGFBR1 (0.45) EGFR
SCHEMBL3892216 0.77 SRC (0.46) KDREGFRPDGFRB

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