SCHEMBL9568448

SCHEMBL9568448

O=C(O)c1c2n(c3cc(-c4ccccc4)c(F)cc3c1=O)CS2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.37
GSK3A P49840 2/20 0.37
GSK3B P49841 2/20 0.37
PIM3 Q86V86 2/20 0.37
PRKD3 O94806 1/20 0.37
IRAK1 P51617 1/20 0.37
RPS6KA3 P51812 1/20 0.37
DYRK1A Q13627 1/20 0.37
CSNK1G3 Q9Y6M4 1/20 0.37
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CSNK1G1 Q9HCP0 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
SCHEMBL9568451 0.90 PIM1 (0.37) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9440144 0.90 TOP2A (0.37) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9568435 0.87 PRKAB2 (0.36) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9568301 0.87 PIM1 (0.35) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9568395 0.85 KDM4E (0.44) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL8323537 0.85 PIM1 (0.41) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9522528 0.81 PIM1 (0.39) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9568341 0.78 TOP2A (0.44) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9568381 0.77 LMNA (0.49) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9568303 0.76 LMNA (0.37) 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-0551518-A1 QUINOLINECARBOXYLIC ACID DERIVATIVE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-07-21 EP disclosed