SCHEMBL6002913

SCHEMBL6002913

COc1cc2ncnc(Oc3cc(C)c(C)nc3-c3cccnc3)c2cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
PDPK1 O15530 3/20 0.47
PDGFRB P09619 2/20 0.46
PDGFRA P16234 1/20 0.46
KDR P35968 8/20 0.46
EGFR P00533 3/20 0.46
LCK P06239 2/20 0.46
RET P07949 1/20 0.46
KIF5B P33176 1/20 0.46
TRPA1 O75762 1/20 0.45
PDE10A Q9Y233 1/20 0.45
EPHA2 P29317 1/20 0.42
EPHB4 P54760 1/20 0.42
CSF1R P07333 2/20 0.41
FLT4 P35916 1/20 0.41
FLT3 P36888 1/20 0.41
AURKA O14965 1/20 0.41
MET P08581 1/20 0.41
TEK Q02763 1/20 0.41
AURKB Q96GD4 1/20 0.41

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
SCHEMBL3897825 0.86 SRC (0.50) PDPK1PDGFRBPDGFRAEGFRPDE10A
SCHEMBL6004216 0.82 LCK (0.50) PDGFRBPDGFRAKDREGFRLCK
SCHEMBL6004691 0.81 TGFBR1 (0.52) ATMKDREGFRLCKRET
SCHEMBL3901753 0.80 PDPK1 (0.55) PDPK1KDRMET
SCHEMBL3903438 0.80 SRC (0.46) PDPK1PDGFRBPDGFRAKDRPDE10A
SCHEMBL4725061 0.79 ATM (0.57) ATMPDPK1PDGFRBPDGFRAKDR
SCHEMBL3907471 0.79 SRC (0.44) PDPK1PDGFRBPDGFRAKDRPDE10A
SCHEMBL6004743 0.79 KDR (0.50) PDGFRBKDREGFRLCKRET
SCHEMBL3895797 0.79 KDR (0.47) PDGFRBPDGFRAKDREGFRLCK
SCHEMBL3897241 0.78 SRC (0.45) PDPK1PDGFRBPDGFRAKDRPDE10A

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