SCHEMBL171191

SCHEMBL171191

C=C(NC)c1cc(Oc2ccc(CNC(=O)Nc3cc(C(F)(F)F)ccc3N(C)C)cc2)ccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 4/20 0.58
RAF1 P04049 13/20 0.50
CSF1R P07333 2/20 0.46
KDR P35968 3/20 0.46
PLK4 O00444 2/20 0.46
AURKA O14965 2/20 0.46
MAPK13 O15264 2/20 0.46
MAP4K4 O95819 2/20 0.46
ABL1 P00519 2/20 0.46
LCK P06239 2/20 0.46
FYN P06241 2/20 0.46
LYN P07948 2/20 0.46
RET P07949 2/20 0.46
SRC P12931 2/20 0.46
RPS6KB1 P23443 2/20 0.46
EPHA2 P29317 2/20 0.46
AXL P30530 2/20 0.46
FRK P42685 2/20 0.46
MAPK9 P45984 2/20 0.46
BLK P51451 2/20 0.46

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
SCHEMBL13603629 0.92 DDR2 (0.68) DDR2RAF1CSF1RKDRPLK4
SCHEMBL171054 0.84 DDR2 (0.66) DDR2RAF1CSF1RKDRPLK4
SCHEMBL13603631 0.83 DDR2 (0.63) DDR2RAF1CSF1RKDRPLK4
SCHEMBL171268 0.83 DDR2 (0.63) DDR2RAF1CSF1RKDRPLK4
SCHEMBL171344 0.81 RAF1 (0.58) DDR2RAF1CSF1RKDRPLK4
SCHEMBL171237 0.81 DDR2 (0.70) DDR2RAF1CSF1RKDRPLK4
SCHEMBL13603451 0.80 DDR2 (0.69) DDR2RAF1CSF1RKDRPLK4
SCHEMBL5569460 0.80 RAF1 (0.76) DDR2RAF1CSF1RKDRPLK4
SCHEMBL15574602 0.79 RAF1 (0.78) DDR2RAF1CSF1RKDRPLK4
SCHEMBL171026 0.79 RAF1 (0.59) DDR2RAF1CSF1RKDRPLK4

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