SCHEMBL171344

SCHEMBL171344

CN(C)CCN(C)c1ccc(C(F)(F)F)cc1NC(=O)NCc1ccc(Oc2ccnc(C(=O)N(C)C)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 9/20 0.58
DDR2 Q16832 2/20 0.53
KDR P35968 5/20 0.41
TEK Q02763 2/20 0.41
CSF1R P07333 2/20 0.41
AURKA O14965 2/20 0.41
ABL1 P00519 2/20 0.41
LCK P06239 2/20 0.41
LYN P07948 2/20 0.41
RET P07949 2/20 0.41
SRC P12931 2/20 0.41
SYK P43405 2/20 0.41
MAPK14 Q16539 2/20 0.41
PLK4 O00444 1/20 0.41
MAPK13 O15264 1/20 0.41
JAK2 O60674 1/20 0.41
MAP4K4 O95819 1/20 0.41
FYN P06241 1/20 0.41
ROS1 P08922 1/20 0.41
RPS6KB1 P23443 1/20 0.41

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
SCHEMBL13603631 0.92 DDR2 (0.63) RAF1DDR2KDRTEKCSF1R
SCHEMBL171268 0.85 DDR2 (0.63) RAF1DDR2KDRTEKCSF1R
SCHEMBL13603629 0.82 DDR2 (0.68) RAF1DDR2KDRTEKCSF1R
SCHEMBL171191 0.81 DDR2 (0.58) RAF1DDR2KDRTEKCSF1R
SCHEMBL16990628 0.80 DDR2 (0.59) RAF1DDR2KDRCSF1RAURKA
SCHEMBL171054 0.79 DDR2 (0.66) RAF1DDR2KDRTEKCSF1R
SCHEMBL171053 0.79 DDR2 (0.70) RAF1DDR2KDRTEKCSF1R
SCHEMBL16990724 0.76 RAF1 (0.67) RAF1DDR2BRAF
SCHEMBL171237 0.76 DDR2 (0.70) RAF1DDR2KDRTEKCSF1R
SCHEMBL13603451 0.76 DDR2 (0.69) RAF1DDR2KDRTEKCSF1R

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