SCHEMBL9674476

SCHEMBL9674476

CCOC(=O)c1c2n(c3c(F)c(N4CCNCC4)c(F)cc3c1=O)C(c1ccccc1)S2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
PIM3 Q86V86 1/20 0.39
CSNK1G1 Q9HCP0 1/20 0.39
HPGD P15428 4/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 3/20 0.38
PMP22 Q01453 1/20 0.38
TOP2A P11388 3/20 0.38
TOP2B Q02880 3/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2C19 P33261 1/20 0.35

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
SCHEMBL9673063 0.93 HTR7 (0.39) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9674394 0.91 HPGD (0.37) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9675220 0.91 KDM4E (0.44) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9674743 0.89 PIM1 (0.48) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9672728 0.88 PIM1 (0.36) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9791230 0.87 KDM4E (0.40) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9674400 0.86 PIM1 (0.42) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9522727 0.85 KDM4E (0.47) PIM1GSK3AGSK3BPIM3HPGD
SCHEMBL9791224 0.85 PIM1 (0.47) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9234131 0.85 PIM1 (0.39) 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