SCHEMBL14968979

SCHEMBL14968979

COCc1c(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
IDO1 P14902 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
EEF2K O00418 3/20 0.35
RCE1 Q9Y256 1/20 0.32
EEF2 P13639 1/20 0.31
IKBKB O14920 1/20 0.31

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
SCHEMBL14969144 0.86 EEF2K (0.35) IDO1KDM4EALDH1A1GLAGAA
SCHEMBL14969047 0.84 EEF2K (0.34) IDO1EEF2KRCE1EEF2IKBKB
SCHEMBL14966496 0.83 KDM4E (0.38) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL14968912 0.81 RCE1 (0.38) IDO1KDM4EALDH1A1GLAGAA
SCHEMBL14969004 0.81 IKBKB (0.36) IDO1KDM4EALDH1A1GLAGAA
SCHEMBL14969024 0.80 RCE1 (0.36) IDO1KDM4EALDH1A1GLAGAA
SCHEMBL14969095 0.79 ENPP1 (0.40) IDO1KDM4EALDH1A1GLAGAA
SCHEMBL14968982 0.77 IDO1 (0.33) IDO1KDM4EALDH1A1GLAGAA
SCHEMBL14969252 0.76 EEF2K (0.34) IDO1KDM4EALDH1A1GLAGAA
SCHEMBL14969265 0.75 KDM4E (0.35) IDO1KDM4EALDH1A1HPGDEEF2K

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