SCHEMBL9568460

SCHEMBL9568460

NCc1ccc(-c2c(F)cc3c(=O)c(C(=O)O)c4n(c3c2F)C(c2ccccc2)S4)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 10/20 0.39
TOP2B Q02880 10/20 0.39
PIM1 P11309 2/20 0.36
GSK3A P49840 2/20 0.36
GSK3B P49841 1/20 0.36
PIM3 Q86V86 1/20 0.36
CSNK1G1 Q9HCP0 1/20 0.36
TOP1 P11387 5/20 0.33
CHRM1 P11229 1/20 0.33
IKBKB O14920 1/20 0.31
AURKA O14965 1/20 0.31
CHUK O15111 1/20 0.31
MAPK13 O15264 1/20 0.31
DAPK3 O43293 1/20 0.31
PRKCG P05129 1/20 0.31
CDK2 P24941 1/20 0.31
MARK3 P27448 1/20 0.31
AKT1 P31749 1/20 0.31
AKT2 P31751 1/20 0.31
MAPKAPK2 P49137 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
SCHEMBL9568343 0.91 TOP2A (0.42) TOP2ATOP2BPIM1GSK3AGSK3B
SCHEMBL9568312 0.90 TOP2A (0.41) TOP2ATOP2BPIM1GSK3AGSK3B
SCHEMBL9568291 0.89 MAPT (0.37) TOP2ATOP2BTOP1
SCHEMBL9568346 0.89 TOP1 (0.40) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9568364 0.86 PIM1 (0.41) TOP2ATOP2BPIM1GSK3AGSK3B
SCHEMBL9568311 0.83 TOP1 (0.41) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9568353 0.83 TOP1 (0.36) PIM1GSK3AGSK3BPIM3TOP1
SCHEMBL9568305 0.80 MAPT (0.38) TOP2ATOP2B
SCHEMBL9568329 0.80 MAPT (0.41) TOP2ATOP2B
SCHEMBL9568342 0.79 TOP1 (0.34) TOP2ATOP2BPIM1GSK3AGSK3B

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