SCHEMBL14969029

SCHEMBL14969029

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

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.33
CD38 P28907 1/20 0.32
EEF2K O00418 1/20 0.31
RPS6KB1 P23443 2/20 0.31
POLB P06746 1/20 0.31
RAD52 P43351 1/20 0.31
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31
IDO1 P14902 1/20 0.30
RCE1 Q9Y256 1/20 0.30
SYK P43405 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 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
SCHEMBL14969265 0.94 KDM4E (0.35) LRRK2CD38EEF2KRPS6KB1AURKA
SCHEMBL14969228 0.83 GAA (0.33) CD38EEF2KIDO1
SCHEMBL14969047 0.79 EEF2K (0.34) EEF2KIDO1RCE1
SCHEMBL14969144 0.79 EEF2K (0.35) EEF2KIDO1RCE1KDM4EALDH1A1
SCHEMBL14969004 0.78 IKBKB (0.36) EEF2KIDO1RCE1KDM4EALDH1A1
SCHEMBL14969024 0.77 RCE1 (0.36) CD38EEF2KIDO1RCE1KDM4E
SCHEMBL14968982 0.77 IDO1 (0.33) EEF2KIDO1KDM4EALDH1A1HPGD
SCHEMBL14968912 0.76 RCE1 (0.38) CD38EEF2KIDO1RCE1SYK
SCHEMBL14969095 0.76 ENPP1 (0.40) EEF2KIDO1RCE1KDM4EALDH1A1
SCHEMBL14969252 0.73 EEF2K (0.34) EEF2KIDO1RCE1KDM4EALDH1A1

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