SCHEMBL9525097

SCHEMBL9525097

O=C(O)c1c2n(c3cc(N4CCOCC4)c(F)cc3c1=O)CS2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 1/20 0.47
PIM1 P11309 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
IRAK1 P51617 1/20 0.47
RPS6KA3 P51812 1/20 0.47
DYRK1A Q13627 1/20 0.47
PIM3 Q86V86 1/20 0.47
CSNK1G3 Q9Y6M4 1/20 0.47
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 6/20 0.46
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
HSD17B10 Q99714 3/20 0.46
LMNA P02545 4/20 0.45
THRB P10828 3/20 0.41
DRD3 P35462 1/20 0.40
CYP1A2 P05177 2/20 0.39

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
SCHEMBL9523354 0.88 PRKD3 (0.48) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL9522977 0.87 ALDH1A1 (0.54) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL9523101 0.87 LMNA (0.53) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL9522013 0.85 ALDH1A1 (0.55) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL8323537 0.82 PIM1 (0.41) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL9522393 0.80 LMNA (0.67) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL9673696 0.80 PIM1 (0.48) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL9232589 0.79 LMNA (0.56) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL9522528 0.78 PIM1 (0.39) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL10976616 0.77 ALDH1A1 (0.53) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0249043-B1 QUINOLINECARBOXYLIC ACID DERIVATIVES NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-08-04 EP disclosed
US-4843070-A BACTERIDCIDES, FUNGICIDES NIPPON SHINYAKU CO., LTD. (JP) 1989-06-27 US disclosed
EP-0249043-A2 Quinolinecarboxylic acid derivatives NIPPON SHINYAKU COMPANY, LIMITED (JP) 1987-12-16 EP disclosed