SCHEMBL9674347

SCHEMBL9674347

CCOC(=O)c1c2n(c3c(F)c(N4CCN(C)C(C)C4)c(F)cc3c1=O)CS2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
PIM3 Q86V86 1/20 0.44
CSNK1G1 Q9HCP0 1/20 0.44
KDM4E B2RXH2 5/20 0.38
HPGD P15428 5/20 0.38
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 2/20 0.38
PMP22 Q01453 1/20 0.38
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALK Q9UM73 2/20 0.34
STAT3 P40763 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL9673590 0.87 PIM1 (0.56) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9675363 0.87 KDM4E (0.47) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9675600 0.86 KDM4E (0.54) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9675123 0.85 PIM1 (0.56) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9523430 0.84 KDM4E (0.44) PIM1GSK3AGSK3BPIM3KDM4E
SCHEMBL9673781 0.84 PIM1 (0.43) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9675966 0.84 KDM4E (0.46) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9674720 0.83 KDM4E (0.39) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9673247 0.83 KMT2A (0.48) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9791269 0.80 KDM4E (0.45) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5011831-A Bactericides NIPPON SHINYAKU CO. LTD. (JP) 1991-04-30 US claimed
EP-0315827-B1 DERIVATIVES OF QUINOLINECARBOXYLIC ACID NIPPON SHINYAKU COMPANY, LIMITED (JP) 1992-04-08 EP disclosed
US-5011831-A Bactericides NIPPON SHINYAKU CO. LTD. (JP) 1991-04-30 US disclosed
EP-0315827-A1 Derivatives of quinolinecarboxylic acid NIPPON SHINYAKU COMPANY, LIMITED (JP) 1989-05-17 EP disclosed