SCHEMBL9568435

SCHEMBL9568435

NCc1ccc(-c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3CS2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
PIM1 P11309 2/20 0.35
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35
PIM3 Q86V86 2/20 0.35
PRKD3 O94806 1/20 0.35
IRAK1 P51617 1/20 0.35
RPS6KA3 P51812 1/20 0.35
DYRK1A Q13627 1/20 0.35
CSNK1G3 Q9Y6M4 1/20 0.35
TOP1 P11387 4/20 0.35
BACE1 P56817 2/20 0.32
CSNK1G1 Q9HCP0 1/20 0.32
NEK1 Q96PY6 1/20 0.32

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
SCHEMBL9568451 0.89 PIM1 (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9568448 0.87 PIM1 (0.37) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9568323 0.87 PRKCZ (0.39)
SCHEMBL9440144 0.84 TOP2A (0.37) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9568301 0.84 PIM1 (0.35) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9568478 0.81 TOP2A (0.42) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9568327 0.80 LMNA (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL8323537 0.80 PIM1 (0.41) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9568353 0.78 TOP1 (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9568385 0.77 LMNA (0.35) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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-0551518-A1 QUINOLINECARBOXYLIC ACID DERIVATIVE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-07-21 EP disclosed