SCHEMBL9228679

SCHEMBL9228679

N[C@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3C(CO)S2)C1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.69
GSK3A P49840 2/20 0.69
GSK3B P49841 2/20 0.69
PIM3 Q86V86 2/20 0.69
PRKD3 O94806 1/20 0.69
IRAK1 P51617 1/20 0.69
RPS6KA3 P51812 1/20 0.69
DYRK1A Q13627 1/20 0.69
CSNK1G3 Q9Y6M4 1/20 0.69
TOP1 P11387 5/20 0.51
CSNK1G1 Q9HCP0 1/20 0.50
LMNA P02545 4/20 0.47
KMT2A Q03164 1/20 0.40
TOP2A P11388 6/20 0.39
TOP2B Q02880 6/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CYP1A2 P05177 1/20 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
SCHEMBL9228672 1.00 PIM1 (0.69) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9232032 0.93 PIM1 (0.69) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9234176 0.93 PIM1 (0.69) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9231597 0.93 PIM1 (0.69) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9281432 0.93 PIM1 (0.69) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9234180 0.93 PIM1 (0.69) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9229640 0.93 PIM1 (0.69) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9233213 0.93 PIM1 (0.69) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9617590 0.87 PIM1 (0.77) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9617588 0.87 PIM1 (0.77) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675127-A1 QUINOLINECARBOXYLIC ACID DERIVATIVE AND PROCESS FOR PRODUCING THE SAME NIPPON SHINYAKU COMPANY, LIMITED (JP) 1995-10-04 EP disclosed