SCHEMBL6002941

SCHEMBL6002941

Cc1cc(Oc2ccnc3cc(Cl)c(C(N)=O)cc23)c(-c2ccccn2)nc1C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TGFBR1 P36897 13/20 0.45
MET P08581 4/20 0.44
AXL P30530 1/20 0.44
MERTK Q12866 1/20 0.44
KDR P35968 5/20 0.42
AURKA O14965 3/20 0.42
TEK Q02763 3/20 0.42
AURKB Q96GD4 3/20 0.42
SRC P12931 4/20 0.42
ABL1 P00519 1/20 0.41
LCK P06239 1/20 0.41
LYN P07948 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
SCHEMBL6005494 0.90 KDR (0.55) TGFBR1METAXLKDRAURKA
SCHEMBL6005496 0.88 TGFBR1 (0.48) TGFBR1SRC
SCHEMBL6004330 0.88 TGFBR1 (0.50) TGFBR1METAXLKDRAURKA
SCHEMBL6004767 0.85 TGFBR1 (0.50) NPSR1RXFP1TGFBR1METKDR
SCHEMBL6004314 0.84 TGFBR1 (0.52) TGFBR1AXLSRC
SCHEMBL6004134 0.83 KDM4E (0.52) TGFBR1SRC
SCHEMBL6004226 0.81 TGFBR1 (0.48) RXFP1TGFBR1
SCHEMBL6004842 0.81 TGFBR1 (0.48) TGFBR1
SCHEMBL3898480 0.80 TGFBR1 (0.56) TGFBR1SRC
SCHEMBL6004277 0.80 NPSR1 (0.43) NPSR1RXFP1TGFBR1METAXL

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