SCHEMBL9568439

SCHEMBL9568439

CC1Sc2c(C(=O)O)c(=O)c3cc(F)c(-c4ccc(N)cc4)c(F)c3n21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.43
GSK3A P49840 2/20 0.43
GSK3B P49841 2/20 0.43
PIM3 Q86V86 2/20 0.43
CSNK1G1 Q9HCP0 1/20 0.43
TOP2A P11388 16/20 0.42
TOP2B Q02880 16/20 0.42
LMNA P02545 1/20 0.39
PRKD3 O94806 1/20 0.35
IRAK1 P51617 1/20 0.35
RPS6KA3 P51812 1/20 0.35
DYRK1A Q13627 1/20 0.35
CSNK1G3 Q9Y6M4 1/20 0.35
TOP1 P11387 1/20 0.33

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
SCHEMBL9568437 0.91 PIM1 (0.43) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9568364 0.89 PIM1 (0.41) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9568400 0.88 LMNA (0.37) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9568386 0.87 PRKCZ (0.39) TOP2ATOP2BLMNA
SCHEMBL9234104 0.86 TOP2A (0.41) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9568312 0.85 TOP2A (0.41) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL8094940 0.82 PIM1 (0.48) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9568404 0.80 LMNA (0.47) PIM1GSK3AGSK3BPIM3CSNK1G1
Hydrochloric Acid SCHEMBL9568307 0.80 LMNA (0.47) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9568412 0.79 TOP2A (0.44) PIM1GSK3AGSK3BPIM3CSNK1G1

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