SCHEMBL9568427

SCHEMBL9568427

Nc1ccc(-c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3C(c3ccc(F)cc3)S2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 1/20 0.36
PIM1 P11309 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
IRAK1 P51617 1/20 0.36
RPS6KA3 P51812 1/20 0.36
DYRK1A Q13627 1/20 0.36
PIM3 Q86V86 1/20 0.36
CSNK1G3 Q9Y6M4 1/20 0.36
LMNA P02545 1/20 0.34
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 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
SCHEMBL9568393 0.93 PRKD3 (0.36) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL9568360 0.91 LMNA (0.36) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL9568423 0.90 TOP1 (0.35) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL9568319 0.90 PRKD3 (0.35) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL9568294 0.87 PRKCZ (0.43) LMNA
SCHEMBL9568303 0.86 LMNA (0.37) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL9568442 0.86 PRKD3 (0.35) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL9568404 0.84 LMNA (0.47) PRKD3PIM1GSK3AGSK3BIRAK1
Hydrochloric Acid SCHEMBL9568307 0.83 LMNA (0.47) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL9568353 0.83 TOP1 (0.36) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0551518-A1 QUINOLINECARBOXYLIC ACID DERIVATIVE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-07-21 EP disclosed