SCHEMBL7013967

SCHEMBL7013967

CCOC(=O)c1c(-c2ccc(O)cc2)[nH]c2cc(N3CCC(N)C3)c(F)cc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 2/20 0.42
PIM1 P11309 2/20 0.42
DYRK1A Q13627 2/20 0.42
PIM3 Q86V86 2/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
IRAK1 P51617 1/20 0.42
RPS6KA3 P51812 1/20 0.42
CSNK1G3 Q9Y6M4 1/20 0.42
ALOX5 P09917 4/20 0.42
TOP1 P11387 3/20 0.42
MAP4K4 O95819 1/20 0.42
CLK2 P49760 1/20 0.42
MAP4K2 Q12851 1/20 0.42
CAMK2D Q13557 1/20 0.42
AURKB Q96GD4 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
STK17A Q9UEE5 1/20 0.42
MAP4K5 Q9Y4K4 1/20 0.42

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
SCHEMBL7149603 0.91 ALOX5 (0.43) ALOX5KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7020424 0.85 ALOX5 (0.46) ALOX5KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7011748 0.85 ALOX5 (0.46) ALOX5KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7010787 0.81 ALOX5 (0.56) ALOX5KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7014803 0.77 KIF11 (0.52) ALOX5KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7013585 0.74 KDM4E (0.42) ALOX5KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7018451 0.74 ALOX5 (0.49) ALOX5KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9233948 0.72 PIM1 (0.51) PRKD3PIM1DYRK1APIM3GSK3A
SCHEMBL9234814 0.72 PIM1 (0.56) PRKD3PIM1DYRK1APIM3GSK3A
SCHEMBL7015629 0.71 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313708-A1 QUINOLINE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF CHIRON CORPORATION (US) 2003-05-28 EP disclosed
WO-2002018345-A1 QUINOLINE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF CHIRON CORPORATION (US) 2002-03-07 WO disclosed