SCHEMBL8323539

SCHEMBL8323539

O=C(O)Oc1c2n(c3cc(F)c(F)cc3c1=O)CS2

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.33
DRD3 P35462 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PRKD3 O94806 1/20 0.30
PIM1 P11309 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
IRAK1 P51617 1/20 0.30
RPS6KA3 P51812 1/20 0.30
DYRK1A Q13627 1/20 0.30
PIM3 Q86V86 1/20 0.30
CSNK1G3 Q9Y6M4 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
SCHEMBL8323537 0.81 PIM1 (0.41) KMT2ADRD3ALDH1A1PRKD3PIM1
SCHEMBL8320413 0.74 LMNA (0.41) KMT2APRKD3PIM1GSK3AGSK3B
SCHEMBL8326003 0.72 KMT2A (0.33) KMT2AALDH1A1PRKD3PIM1GSK3A
SCHEMBL9522528 0.71 PIM1 (0.39) KMT2APRKD3PIM1GSK3AGSK3B
SCHEMBL10976694 0.70 ALDH1A1 (0.36) ALDH1A1
SCHEMBL8136624 0.69 KMT2A (0.35) KMT2AALDH1A1
SCHEMBL10744715 0.68 ALDH1A1 (0.44) KMT2AALDH1A1PIM1GSK3APIM3
SCHEMBL9568448 0.68 PIM1 (0.37) KMT2ADRD3ALDH1A1PRKD3PIM1
SCHEMBL9568395 0.67 KDM4E (0.44) KMT2AALDH1A1
SCHEMBL9523354 0.66 PRKD3 (0.48) KMT2ADRD3ALDH1A1PRKD3PIM1

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
EP-0705828-B1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1999-12-01 EP disclosed
EP-0721948-B1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1997-12-03 EP 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