SCHEMBL16655863

SCHEMBL16655863

CCn1nc(-c2ccc3c(c2)CCN3C(=O)Cc2cc(F)ccc2F)c(C(N)=O)c1N

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 9/20 0.61
EIF2AK2 P19525 1/20 0.48
RIPK1 Q13546 8/20 0.48
RIPK2 O43353 1/20 0.47
LCK P06239 1/20 0.47
KDR P35968 1/20 0.47
TGFBR1 P36897 1/20 0.47
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
GFER P55789 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL13861216 0.77 EIF2AK3 (0.61) EIF2AK3RIPK1MAPTRAB9A
SCHEMBL16156132 0.76 EIF2AK3 (0.58) EIF2AK3
SCHEMBL869007 0.76 EIF2AK3 (1.00) EIF2AK3RIPK1
SCHEMBL868181 0.75 EIF2AK3 (0.66) EIF2AK3EIF2AK2RIPK1LCKKDR
SCHEMBL869564 0.74 EIF2AK3 (0.81) EIF2AK3EIF2AK2RIPK1
SCHEMBL869455 0.72 EIF2AK3 (0.55) EIF2AK3NPC1MAPTRAB9A
SCHEMBL16386452 0.72 EIF2AK3 (0.80) EIF2AK3RIPK1
SCHEMBL16654949 0.71 EIF2AK3 (0.58) EIF2AK3EIF2AK2RIPK1NPC1GAA
SCHEMBL868634 0.71 EIF2AK3 (1.00) EIF2AK3EIF2AK2RIPK1LCK
SCHEMBL2385135 0.70 EIF2AK3 (0.72) EIF2AK3EIF2AK2LCK

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
WO-2015056180-A1 INDOLINE DERIVATIVES AS INHIBITORS OF PERK GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-04-23 WO disclosed
WO-2015056180-A1 INDOLINE DERIVATIVES AS INHIBITORS OF PERK GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-04-23 WO disclosed