SCHEMBL171350

SCHEMBL171350

CCNCCOc1ccc(C(F)(F)F)cc1NC(=O)NCc1ccc(Oc2ccnc(C(=O)NC)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 4/20 0.69
RAF1 P04049 15/20 0.61
KDR P35968 4/20 0.51
ABL1 P00519 3/20 0.51
RET P07949 3/20 0.51
EPHA2 P29317 3/20 0.51
MAPK14 Q16539 3/20 0.51
MAP3K20 Q9NYL2 3/20 0.51
PLK4 O00444 2/20 0.51
AURKA O14965 2/20 0.51
MAPK13 O15264 2/20 0.51
MAP4K4 O95819 2/20 0.51
LCK P06239 2/20 0.51
FYN P06241 2/20 0.51
LYN P07948 2/20 0.51
SRC P12931 2/20 0.51
RPS6KB1 P23443 2/20 0.51
AXL P30530 2/20 0.51
FRK P42685 2/20 0.51
MAPK9 P45984 2/20 0.51

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
SCHEMBL171345 0.93 DDR2 (0.71) DDR2RAF1KDRABL1RET
SCHEMBL15574761 0.92 DDR2 (0.70) DDR2RAF1KDRABL1RET
SCHEMBL15574834 0.91 DDR2 (0.72) DDR2RAF1KDRABL1RET
SCHEMBL15575256 0.91 DDR2 (0.72) DDR2RAF1KDRABL1RET
SCHEMBL15573225 0.91 DDR2 (0.74) DDR2RAF1KDRABL1RET
SCHEMBL15574684 0.90 DDR2 (0.68) DDR2RAF1KDRABL1RET
SCHEMBL169278 0.90 DDR2 (0.71) DDR2RAF1KDRABL1RET
SCHEMBL15574215 0.90 DDR2 (0.67) DDR2RAF1KDRABL1RET
SCHEMBL13603541 0.89 DDR2 (0.68) DDR2RAF1KDRABL1RET
SCHEMBL17000018 0.89 DDR2 (0.70) DDR2RAF1KDRABL1RET

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