SCHEMBL3131390

SCHEMBL3131390

CN1CCN(c2ccc(Nc3ncc(N(Cl)C(=O)c4ccc(NC(=O)c5ccc6c(c5)OC(F)(F)O6)cc4)cn3)cc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LCK P06239 13/20 0.73
MAPK14 Q16539 13/20 0.73
KDR P35968 10/20 0.73
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
TEK Q02763 3/20 0.49
JAK3 P52333 1/20 0.49
BRD4 O60885 1/20 0.49
ABL1 P00519 1/20 0.48
FYN P06241 1/20 0.48
CSF1R P07333 1/20 0.48
LYN P07948 1/20 0.48
SRC P12931 1/20 0.48
MAPK9 P45984 1/20 0.48
EGFR P00533 1/20 0.45
POLB P06746 1/20 0.44

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 0.84 LCK (1.00) LCKMAPK14KDRNPC1RAB9A
SCHEMBL2952129 0.83 LCK (1.00) LCKMAPK14KDRNPC1RAB9A
SCHEMBL3131379 0.82 LCK (0.81) LCKMAPK14KDRNPC1RAB9A
SCHEMBL2941869 0.81 LCK (1.00) LCKMAPK14KDRNPC1RAB9A
SCHEMBL5498378 0.77 LCK (0.70) LCKMAPK14KDRTEKJAK3
SCHEMBL2944014 0.71 LCK (0.77) LCKMAPK14KDRTEKJAK3
SCHEMBL19496537 0.70 LCK (0.59) LCKMAPK14KDRNPC1RAB9A
SCHEMBL4721744 0.70 LCK (0.81) LCKMAPK14KDRNPC1RAB9A
SCHEMBL18707357 0.69 RAB9A (1.00) NPC1RAB9ASMN1; SMN2TP53POLB
SCHEMBL30962860 0.69 LCK (0.73) LCKMAPK14KDRTEKBRD4

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