SCHEMBL14969252

SCHEMBL14969252

C=Cc1c(Br)c(C(F)(F)F)nc2nc(N)c(C(N)=O)cc12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 3/20 0.34
IDO1 P14902 1/20 0.33
IKBKB O14920 1/20 0.33
RCE1 Q9Y256 1/20 0.31
EEF2 P13639 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL14969004 0.84 IKBKB (0.36) EEF2KIDO1IKBKBRCE1EEF2
SCHEMBL14969024 0.83 RCE1 (0.36) EEF2KIDO1IKBKBRCE1EEF2
SCHEMBL14968912 0.81 RCE1 (0.38) EEF2KIDO1IKBKBRCE1EEF2
SCHEMBL14969095 0.81 ENPP1 (0.40) EEF2KIDO1IKBKBRCE1EEF2
SCHEMBL14969228 0.80 GAA (0.33) EEF2KIDO1IKBKBGAA
SCHEMBL14969144 0.80 EEF2K (0.35) EEF2KIDO1IKBKBRCE1EEF2
SCHEMBL14969047 0.78 EEF2K (0.34) EEF2KIDO1IKBKBRCE1EEF2
SCHEMBL14968979 0.76 IDO1 (0.36) EEF2KIDO1IKBKBRCE1EEF2
SCHEMBL14968923 0.75 IKBKB (0.38) IKBKBKDM4EALDH1A1GLAGAA
SCHEMBL14968982 0.75 IDO1 (0.33) EEF2KIDO1IKBKBKDM4EALDH1A1

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-2013072882-A1 2 -AMINO- 1, 8 -NAPHTHYRIDINE-3 -CARBOXAMIDE DERIVATIVES AS ANTIMICROBIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2013-05-23 WO claimed
WO-2013072882-A1 2 -AMINO- 1, 8 -NAPHTHYRIDINE-3 -CARBOXAMIDE DERIVATIVES AS ANTIMICROBIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2013-05-23 WO disclosed