SCHEMBL6004277

SCHEMBL6004277

CCc1ccc(Oc2ccnc3cc(C(N)=O)c(Cl)cc23)c(-c2ccccn2)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.43
RXFP1 Q9HBX9 2/20 0.43
KDR P35968 5/20 0.40
MET P08581 4/20 0.40
AURKA O14965 3/20 0.40
TEK Q02763 3/20 0.40
AURKB Q96GD4 3/20 0.40
ABL1 P00519 1/20 0.40
LCK P06239 1/20 0.40
LYN P07948 1/20 0.40
AXL P30530 2/20 0.39
MERTK Q12866 1/20 0.39
TGFBR1 P36897 4/20 0.39
SRC P12931 3/20 0.39
IRAK4 Q9NWZ3 5/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL6004278 0.90 KDR (0.49) KDRMETAURKATEKAURKB
SCHEMBL6002914 0.81 PDGFRB (0.49) KDRMETTGFBR1SRC
SCHEMBL6004288 0.80 KDR (0.41) KDRMETAURKATEKAURKB
SCHEMBL6004082 0.80 CBFB (0.37) KDRMETTGFBR1SRCKMT2A
SCHEMBL6002941 0.80 NPSR1 (0.46) NPSR1RXFP1KDRMETAURKA
SCHEMBL6004857 0.79 SRC (0.37) KDRMETTGFBR1SRCKMT2A
SCHEMBL6004758 0.78 MET (0.42) KDRMETAURKATEKAURKB
SCHEMBL6005260 0.77 MET (0.50) KDRMETAXLTGFBR1SRC
SCHEMBL6004984 0.76 PDE3B (0.39) METAXLTGFBR1SRC
SCHEMBL6004207 0.76 CYP1A2 (0.37) KDRMETAXLTGFBR1KMT2A

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