SCHEMBL3131379

SCHEMBL3131379

CN1CCN(c2ccc(Nc3ncc(NC(=O)c4cc(Cl)ccc4NC(=O)c4ccc5c(c4)OC(F)(F)O5)cn3)cc2)CC1

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LCK P06239 14/20 0.81
MAPK14 Q16539 14/20 0.81
KDR P35968 11/20 0.81
F10 P00742 4/20 0.56
TEK Q02763 3/20 0.52
JAK3 P52333 1/20 0.52
ABL1 P00519 1/20 0.51
FYN P06241 1/20 0.51
CSF1R P07333 1/20 0.51
LYN P07948 1/20 0.51
SRC P12931 1/20 0.51
MAPK9 P45984 1/20 0.51
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL2943932 0.89 LCK (1.00) LCKMAPK14KDRTEKJAK3
SCHEMBL2952129 0.86 LCK (1.00) LCKMAPK14KDRTEKJAK3
SCHEMBL2941869 0.85 LCK (1.00) LCKMAPK14KDRTEKJAK3
SCHEMBL3131390 0.82 LCK (0.73) LCKMAPK14KDRTEKJAK3
SCHEMBL5498378 0.76 LCK (0.70) LCKMAPK14KDRTEKJAK3
SCHEMBL2947687 0.74 LCK (0.82) LCKMAPK14KDRTEKJAK3
SCHEMBL2944014 0.74 LCK (0.77) LCKMAPK14KDRTEKJAK3
SCHEMBL2949536 0.73 LCK (0.82) LCKMAPK14KDRTEKJAK3
SCHEMBL5394524 0.72 F10 (1.00) F10
SCHEMBL2950352 0.72 LCK (0.84) LCKMAPK14KDRTEKJAK3

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
US-7754717-B2 Bis-aryl amide compounds and methods of use AMGEN INC. (US) 2010-07-13 US claimed