SCHEMBL8323537

SCHEMBL8323537

O=C(O)c1c2n(c3cc(F)c(F)cc3c1=O)CS2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.41
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
PIM3 Q86V86 2/20 0.41
PRKD3 O94806 1/20 0.41
IRAK1 P51617 1/20 0.41
RPS6KA3 P51812 1/20 0.41
DYRK1A Q13627 1/20 0.41
CSNK1G3 Q9Y6M4 1/20 0.41
CSNK1G1 Q9HCP0 1/20 0.37
LMNA P02545 3/20 0.35
ALDH1A1 P00352 3/20 0.31
DRD3 P35462 1/20 0.31
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
CYP1A2 P05177 1/20 0.31
TOP2A P11388 1/20 0.31
CYP2C9 P11712 1/20 0.31
TOP2B Q02880 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
SCHEMBL9522528 0.89 PIM1 (0.39) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9568448 0.85 PIM1 (0.37) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9523354 0.83 PRKD3 (0.48) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9523101 0.82 LMNA (0.53) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9522977 0.82 ALDH1A1 (0.54) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9440144 0.82 TOP2A (0.37) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9525097 0.82 PRKD3 (0.47) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9568451 0.82 PIM1 (0.37) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL8323539 0.81 KMT2A (0.33) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9522013 0.81 ALDH1A1 (0.55) PIM1GSK3AGSK3BPIM3PRKD3

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 7 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
US-5783708-A HEXAHYDROISOINDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1998-07-21 US disclosed
US-5703094-A Quinolone- and naphthyridonecarboxylic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 1997-12-30 US disclosed
EP-0721948-B1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1997-12-03 EP disclosed
US-5679689-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-21 US disclosed
EP-0721948-A1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1996-07-17 EP disclosed
EP-0705828-A1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1996-04-10 EP disclosed