SCHEMBL7997798

SCHEMBL7997798

Cc1c(F)c(N2CC[C@H](N)C2)cc2c1c(=O)c(OC(=O)O)cn2[C@@H]1C[C@@H]1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
PIM3 Q86V86 3/20 0.40
DYRK1A Q13627 2/20 0.40
RPS6KB1 P23443 1/20 0.40
MATK P42679 1/20 0.40
MAPKAPK3 Q16644 1/20 0.40
AURKB Q96GD4 1/20 0.40
PIM1 P11309 2/20 0.38
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38
PRKD3 O94806 1/20 0.38
IRAK1 P51617 1/20 0.38
RPS6KA3 P51812 1/20 0.38
CSNK1G3 Q9Y6M4 1/20 0.38
TOP1 P11387 5/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37

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
Hydrochloric Acid SCHEMBL10443393 0.90 KCNH2 (0.54) KCNH2HRH3PIM3DYRK1ARPS6KB1
Hydrochloric Acid SCHEMBL10443267 0.90 KCNH2 (0.54) KCNH2HRH3PIM3DYRK1ARPS6KB1
SCHEMBL7997857 0.86 KCNH2 (0.61) KCNH2HRH3PIM3DYRK1ARPS6KB1
SCHEMBL7997794 0.86 KCNH2 (0.61) KCNH2HRH3PIM3DYRK1ARPS6KB1
SCHEMBL8009438 0.84 KCNH2 (0.38) KCNH2HRH3CYP3A4
SCHEMBL8007488 0.84 PIM3 (0.41) KCNH2PIM3DYRK1ARPS6KB1MATK
SCHEMBL8122355 0.83 KCNH2 (0.35) KCNH2HRH3
SCHEMBL9235299 0.83 KCNH2 (0.35) KCNH2HRH3
SCHEMBL7841159 0.81 KCNH2 (0.51) KCNH2HRH3PIM3DYRK1ARPS6KB1
SCHEMBL1858180 0.77 KCNH2 (0.76) KCNH2HRH3PRKD3ALDH1A1POLB

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-0593766-B1 PYRIDONECARBOXYLIC ACID DERIVATIVE DAIICHI SEIYAKU CO (JP) 2000-09-06 EP claimed