SCHEMBL9692680

SCHEMBL9692680

CC(C)OC(=O)c1c2n(c3c(F)c(N4CC[C@H](NC(=O)C(F)(F)F)C4)c(F)cc3c1=O)C(C)S2

nearest known ligand 0.43

Predicted protein targets (top 20)

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
KCNH2 Q12809 3/20 0.34
TOP1 P11387 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 2/20 0.33
PMP22 Q01453 1/20 0.33
LMNA P02545 2/20 0.31
SMPD3 Q9NY59 1/20 0.31
PRKD3 O94806 1/20 0.31
IRAK1 P51617 1/20 0.31
RPS6KA3 P51812 1/20 0.31
DYRK1A Q13627 1/20 0.31
CSNK1G3 Q9Y6M4 1/20 0.31
BTK Q06187 1/20 0.30

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
SCHEMBL9692688 1.00 PIM1 (0.43) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9694251 0.89 PIM1 (0.43) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9692711 0.89 PIM1 (0.43) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9694206 0.89 PIM1 (0.43) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9692654 0.89 PIM1 (0.55) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9692650 0.89 PIM1 (0.55) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9692752 0.88 PIM1 (0.42) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9693956 0.88 PIM1 (0.42) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9694355 0.87 PIM1 (0.41) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9692717 0.87 PIM1 (0.41) 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-0465716-A1 Optically active thiazetoquino-line-3-carboxylic acid compound, method for preparation thereof, and a pharmaceutical composition comprising the same HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1992-01-15 EP disclosed