SCHEMBL171218

SCHEMBL171218

CNC(=O)c1cc(Oc2ccc(CNC(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)ccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 3/20 0.54
MAPK14 Q16539 4/20 0.46
RAF1 P04049 6/20 0.45
EPHX2 P34913 3/20 0.45
KDR P35968 5/20 0.44
MMP13 P45452 1/20 0.44
NPC1 O15118 1/20 0.43
ATM Q13315 1/20 0.43
CSF1R P07333 2/20 0.42
PLK4 O00444 2/20 0.42
AURKA O14965 2/20 0.42
MAPK13 O15264 2/20 0.42
MAP4K4 O95819 2/20 0.42
ABL1 P00519 2/20 0.42
LCK P06239 2/20 0.42
FYN P06241 2/20 0.42
LYN P07948 2/20 0.42
RET P07949 2/20 0.42
SRC P12931 2/20 0.42
RPS6KB1 P23443 2/20 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
SCHEMBL13603635 0.91 DDR2 (0.52) DDR2MAPK14RAF1EPHX2KDR
SCHEMBL171277 0.88 MAPK14 (0.57) DDR2MAPK14RAF1EPHX2KDR
SCHEMBL15574740 0.86 DDR2 (0.71) DDR2MAPK14RAF1EPHX2KDR
SCHEMBL17000002 0.85 DDR2 (0.60) DDR2MAPK14RAF1EPHX2KDR
SCHEMBL17000001 0.82 L3MBTL1 (0.61) DDR2MAPK14RAF1EPHX2KDR
SCHEMBL13603449 0.81 DDR2 (0.59) DDR2MAPK14RAF1EPHX2KDR
SCHEMBL17000011 0.80 DDR2 (0.69) DDR2MAPK14RAF1EPHX2KDR
SCHEMBL13648145 0.80 KDR (0.61) DDR2MAPK14RAF1EPHX2KDR
SCHEMBL15575325 0.79 DDR2 (0.59) DDR2MAPK14RAF1EPHX2KDR
SCHEMBL17000003 0.79 POLB (0.58) DDR2MAPK14RAF1EPHX2KDR

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-2426122-A1 Methylene urea derivative as RAF kinasse inhibitors Merck Patent GmbH (DE) 2012-03-07 EP disclosed