SCHEMBL14969004

SCHEMBL14969004

NC(=O)c1cc2c(N)c(Br)c(C(F)(F)F)nc2nc1N

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.36
EEF2K O00418 4/20 0.35
RCE1 Q9Y256 1/20 0.34
IDO1 P14902 1/20 0.34
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
EEF2 P13639 1/20 0.31
TBK1 Q9UHD2 1/20 0.31
ATF1 P18846 1/20 0.30
NFKB1 P19838 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
SCHEMBL14969024 0.88 RCE1 (0.36) IKBKBEEF2KRCE1IDO1KDM4E
SCHEMBL14969095 0.87 ENPP1 (0.40) IKBKBEEF2KRCE1IDO1KDM4E
SCHEMBL14968912 0.87 RCE1 (0.38) IKBKBEEF2KRCE1IDO1KDM4E
SCHEMBL14969144 0.85 EEF2K (0.35) IKBKBEEF2KRCE1IDO1KDM4E
SCHEMBL14969252 0.84 EEF2K (0.34) IKBKBEEF2KRCE1IDO1KDM4E
SCHEMBL14969047 0.83 EEF2K (0.34) IKBKBEEF2KRCE1IDO1EEF2
SCHEMBL14968979 0.81 IDO1 (0.36) IKBKBEEF2KRCE1IDO1KDM4E
SCHEMBL14969265 0.80 KDM4E (0.35) IKBKBEEF2KIDO1KDM4EALDH1A1
SCHEMBL14968982 0.80 IDO1 (0.33) IKBKBEEF2KIDO1KDM4EALDH1A1
SCHEMBL14969228 0.78 GAA (0.33) IKBKBEEF2KIDO1GAA

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