SCHEMBL2374671

SCHEMBL2374671

CC(C)COC(=O)N1CCC(CCn2cc(-c3ccc4c(c3)CCN4C(=O)Cc3cc(F)ccc3F)c3c(N)ncnc32)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 14/20 0.66
EIF2AK2 P19525 2/20 0.53
RIPK1 Q13546 5/20 0.52
MAPK13 O15264 1/20 0.50
ABL1 P00519 1/20 0.50
NTRK1 P04629 1/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
YES1 P07947 1/20 0.50
LYN P07948 1/20 0.50
RET P07949 1/20 0.50
MET P08581 1/20 0.50
HCK P08631 1/20 0.50
FGR P09769 1/20 0.50
KIT P10721 1/20 0.50
FGFR1 P11362 1/20 0.50
SRC P12931 1/20 0.50
FLT1 P17948 1/20 0.50
EPHA2 P29317 1/20 0.50
EPHA8 P29322 1/20 0.50

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
SCHEMBL869781 0.91 EIF2AK3 (0.68) EIF2AK3EIF2AK2RIPK1MAPK13ABL1
SCHEMBL2374504 0.89 EIF2AK3 (0.67) EIF2AK3EIF2AK2RIPK1EIF2AK1
SCHEMBL868848 0.86 EIF2AK3 (0.72) EIF2AK3EIF2AK2RIPK1MAPK13ABL1
SCHEMBL869000 0.85 EIF2AK3 (0.80) EIF2AK3EIF2AK2RIPK1EIF2AK1
SCHEMBL869974 0.83 EIF2AK3 (0.80) EIF2AK3EIF2AK2RIPK1EIF2AK1
SCHEMBL868634 0.80 EIF2AK3 (1.00) EIF2AK3EIF2AK2RIPK1NTRK1LCK
SCHEMBL868648 0.80 EIF2AK3 (0.69) EIF2AK3EIF2AK2ABL1SRCABL2
SCHEMBL869421 0.80 EIF2AK3 (0.81) EIF2AK3EIF2AK2RIPK1EIF2AK1
SCHEMBL868429 0.80 EIF2AK3 (0.76) EIF2AK3EIF2AK2RIPK1EIF2AK1
SCHEMBL868471 0.79 EIF2AK3 (0.80) EIF2AK3EIF2AK2RIPK1EIF2AK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2549868-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2013-01-30 EP disclosed
WO-2011119663-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed