SCHEMBL14969018

SCHEMBL14969018

CCc1cc2cc(C(N)=O)c(N)nc2nc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
EEF2K O00418 3/20 0.38
IDO1 P14902 1/20 0.36
JAK2 O60674 3/20 0.35
JAK1 P23458 2/20 0.34
TYK2 P29597 2/20 0.34
CD38 P28907 2/20 0.33
EEF2 P13639 1/20 0.33
GPR52 Q9Y2T5 1/20 0.33
RCE1 Q9Y256 1/20 0.32
PARP1 P09874 2/20 0.32
CYP3A4 P08684 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 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
SCHEMBL14966609 0.86 IKBKB (0.41) IKBKBKDM4EALDH1A1GLAGAA
SCHEMBL14969052 0.85 IKBKB (0.36) IKBKBKDM4EALDH1A1GLAGAA
SCHEMBL14968867 0.81 IKBKB (0.39) IKBKBKDM4EALDH1A1GLAGAA
SCHEMBL14969065 0.81 IKBKB (0.41) IKBKBKDM4EALDH1A1GLAGAA
SCHEMBL14969017 0.79 IKBKB (0.38) IKBKBKDM4EALDH1A1GLAGAA
SCHEMBL14968923 0.77 IKBKB (0.38) IKBKBKDM4EALDH1A1GLAGAA
SCHEMBL14968966 0.72 IKBKB (0.41) IKBKBKDM4EALDH1A1GLAGAA
SCHEMBL14968912 0.71 RCE1 (0.38) IKBKBKDM4EALDH1A1GLAGAA
SCHEMBL14969004 0.70 IKBKB (0.36) IKBKBKDM4EALDH1A1GLAGAA
SCHEMBL14969024 0.69 RCE1 (0.36) 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 4 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
EP-2780322-A1 METHODS AND COMPOSITIONS ASSOCIATED WITH THE GRANULOCYTE COLONY-STIMULATING FACTOR RECEPTOR Ligand Pharmaceuticals Inc. (US) 2014-09-24 EP disclosed
WO-2013074459-A1 METHODS AND COMPOSITIONS ASSOCIATED WITH THE GRANULOCYTE COLONY-STIMULATING FACTOR RECEPTOR LIGAND PHARMACEUTICALS, INC. (US) 2013-05-23 WO disclosed
WO-2013072882-A1 2 -AMINO- 1, 8 -NAPHTHYRIDINE-3 -CARBOXAMIDE DERIVATIVES AS ANTIMICROBIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2013-05-23 WO disclosed