SCHEMBL8324820

SCHEMBL8324820

NC12C=CC=CC1CN(c1cc3c(cc1F)c(=O)c(OC(=O)O)c1n3C(CF)S1)C2

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 1/20 0.34
PIM1 P11309 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
IRAK1 P51617 1/20 0.34
RPS6KA3 P51812 1/20 0.34
DYRK1A Q13627 1/20 0.34
PIM3 Q86V86 1/20 0.34
CSNK1G3 Q9Y6M4 1/20 0.34
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.31
GAA P10253 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RAD52 P43351 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
SCHEMBL8318717 0.89 LMNA (0.40) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL8324818 0.89 PIM1 (0.43) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL8325959 0.84 PRKD3 (0.34) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL8923244 0.78 LMNA (0.51) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL8324379 0.77 ALDH1A1 (0.35) LMNAALDH1A1GAAMEN1KMT2A
SCHEMBL8323544 0.77 KDM4E (0.47) LMNAALDH1A1GAAMEN1KMT2A
SCHEMBL8321532 0.77 ALDH1A1 (0.34) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL8326003 0.76 KMT2A (0.33) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL8323758 0.76 KDM4E (0.45) LMNAALDH1A1
SCHEMBL8321538 0.75 EPHA2 (0.39) GSK3BLMNAALDH1A1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705828-B1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1999-12-01 EP disclosed
EP-0705828-A1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1996-04-10 EP disclosed