SCHEMBL9568333

SCHEMBL9568333

COc1c(-c2ccc(CN)cc2)c(F)cc2c(=O)c(C(=O)O)c3n(c12)CS3

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 9/20 0.39
NEK1 Q96PY6 1/20 0.35
KCNH2 Q12809 1/20 0.35
GSK3B P49841 3/20 0.35
PIM1 P11309 1/20 0.35
GSK3A P49840 1/20 0.35
PIM3 Q86V86 1/20 0.35
CSNK1G1 Q9HCP0 1/20 0.35
TOP2A P11388 1/20 0.33
TOP2B Q02880 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
SCHEMBL9568328 0.90 GSK3B (0.36) TOP1KCNH2GSK3BPIM1GSK3A
SCHEMBL9568351 0.90 PRKCZ (0.37) TOP1NEK1
SCHEMBL9568336 0.89 GSK3B (0.37) TOP1GSK3BPIM1GSK3APIM3
SCHEMBL9568478 0.88 TOP2A (0.42) TOP1NEK1GSK3BPIM1GSK3A
SCHEMBL9568432 0.83 TOP1 (0.39) TOP1NEK1KCNH2GSK3BPIM1
SCHEMBL9568436 0.80 PRKCZ (0.38)
SCHEMBL9568346 0.80 TOP1 (0.40) TOP1NEK1KCNH2GSK3BPIM1
SCHEMBL9568340 0.80 MAPT (0.41)
SCHEMBL9568317 0.79 TOP1 (0.40) TOP1NEK1
SCHEMBL9568311 0.79 TOP1 (0.41) TOP1NEK1KCNH2GSK3BPIM1

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