SCHEMBL171257

SCHEMBL171257

CNC(=O)c1cc(Oc2ccc(CNC(=O)Nc3cccc(OS(=O)C(F)(F)F)c3)cc2)ccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.59
KDR P35968 4/20 0.59
MAPK14 Q16539 4/20 0.59
SRC P12931 3/20 0.59
ABL1 P00519 3/20 0.59
EPHA2 P29317 3/20 0.59
MAP3K20 Q9NYL2 3/20 0.59
PLK4 O00444 2/20 0.59
AURKA O14965 2/20 0.59
MAPK13 O15264 2/20 0.59
MAP4K4 O95819 2/20 0.59
LCK P06239 2/20 0.59
FYN P06241 2/20 0.59
LYN P07948 2/20 0.59
RPS6KB1 P23443 2/20 0.59
AXL P30530 2/20 0.59
FRK P42685 2/20 0.59
MAPK9 P45984 2/20 0.59
BLK P51451 2/20 0.59
CAMK2B Q13554 2/20 0.59

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
SCHEMBL13603590 0.86 KDR (0.59) RETKDRMAPK14SRCABL1
SCHEMBL171273 0.84 KDR (0.61) RETKDRMAPK14SRCABL1
SCHEMBL13603809 0.83 KDR (0.61) RETKDRMAPK14SRCABL1
SCHEMBL13603624 0.83 KDR (0.55) RETKDRMAPK14SRCABL1
SCHEMBL13603520 0.83 BRAF (0.59) RETKDRMAPK14SRCABL1
SCHEMBL15574712 0.81 RAF1 (0.64) RETKDRMAPK14SRCABL1
SCHEMBL15574673 0.81 KDR (0.57) RETKDRMAPK14SRCABL1
SCHEMBL15573040 0.80 KDR (0.56) RETKDRMAPK14SRCABL1
SCHEMBL13603485 0.80 KDR (0.55) RETKDRMAPK14SRCABL1
SCHEMBL171153 0.80 KDR (0.55) RETKDRMAPK14SRCABL1

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