SCHEMBL8325959

SCHEMBL8325959

NC12C=CC=CC1CN(c1cc3c(cc1F)c(=O)c(OC(=O)O)c1n3CS1)C2

nearest known ligand 0.34

Predicted protein targets (top 20)

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
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
TOP2A P11388 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
TOP2B Q02880 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GAA P10253 2/20 0.30
MEN1 O00255 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
SCHEMBL8325956 0.88 PIM1 (0.44) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL8318717 0.85 LMNA (0.40) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL8324820 0.84 PRKD3 (0.34) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL8323758 0.78 KDM4E (0.45) KDM4EALDH1A1LMNACYP1A2TOP2A
SCHEMBL8323544 0.78 KDM4E (0.47) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8322831 0.77 ALDH1A1 (0.35) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL8323756 0.75 KDM4E (0.58) KDM4EALDH1A1LMNACYP1A2TOP2A
SCHEMBL8321528 0.75 ALDH1A1 (0.43) KDM4EALDH1A1LMNACYP1A2TOP2A
SCHEMBL8323542 0.75 DRD3 (0.58) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8323539 0.74 KMT2A (0.33) PRKD3PIM1GSK3AGSK3BIRAK1

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