SCHEMBL14969098

SCHEMBL14969098

CNc1c(Br)c(C(C)C)nc2nc(N)c(C(N)=O)cc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.36
EEF2K O00418 4/20 0.35
IKBKB O14920 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
TBK1 Q9UHD2 1/20 0.32
EEF2 P13639 1/20 0.31
NNMT P40261 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
SCHEMBL14969185 0.82 RCE1 (0.38) RCE1EEF2KIKBKBKDM4EALDH1A1
SCHEMBL14966299 0.70 RCE1 (0.44) RCE1EEF2KIKBKBKDM4EALDH1A1
SCHEMBL14969233 0.68 IKBKB (0.40) RCE1EEF2KIKBKBKDM4EALDH1A1
SCHEMBL14968947 0.67 IKBKB (0.39) RCE1EEF2KIKBKBKDM4EALDH1A1
SCHEMBL14969024 0.66 RCE1 (0.36) RCE1EEF2KIKBKBKDM4EALDH1A1
SCHEMBL14968912 0.65 RCE1 (0.38) RCE1EEF2KIKBKBKDM4EALDH1A1
SCHEMBL14969053 0.65 EEF2K (0.41) RCE1EEF2KIKBKBKDM4EALDH1A1
SCHEMBL14968935 0.65 EEF2K (0.46) RCE1EEF2KIKBKBKDM4EALDH1A1
SCHEMBL14969265 0.65 KDM4E (0.35) EEF2KIKBKBKDM4EALDH1A1HPGD
SCHEMBL14969189 0.64 IKBKB (0.35) IKBKBKDM4EALDH1A1GLAGAA

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