SCHEMBL9692706

SCHEMBL9692706

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
PIM3 Q86V86 1/20 0.37
CSNK1G1 Q9HCP0 1/20 0.37
ALDH1A1 P00352 4/20 0.35
POLB P06746 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
TOP1 P11387 2/20 0.34
KDM4E B2RXH2 4/20 0.34
HPGD P15428 4/20 0.34
CYP2C19 P33261 2/20 0.34
KCNH2 Q12809 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 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
SCHEMBL9692712 1.00 PIM1 (0.37) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9693682 1.00 PIM1 (0.37) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9694251 0.93 PIM1 (0.43) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9692711 0.93 PIM1 (0.43) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9694206 0.93 PIM1 (0.43) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9692687 0.90 PIM1 (0.36) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9694518 0.90 PIM1 (0.36) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9692671 0.90 PIM1 (0.36) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9694412 0.89 PIM1 (0.47) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9694416 0.89 PIM1 (0.47) 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