SCHEMBL8007488

SCHEMBL8007488

Cc1c(F)c(N2CC[C@H](N)C2)c(F)c2c1c(=O)c(OC(=O)O)cn2[C@@H]1C[C@@H]1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 2/20 0.41
RPS6KB1 P23443 1/20 0.41
MATK P42679 1/20 0.41
DYRK1A Q13627 1/20 0.41
MAPKAPK3 Q16644 1/20 0.41
AURKB Q96GD4 1/20 0.41
POLB P06746 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
CYP3A4 P08684 1/20 0.37
PIM1 P11309 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CSNK1G1 Q9HCP0 1/20 0.37
TOP1 P11387 4/20 0.36
TOP2A P11388 11/20 0.35
TOP2B Q02880 9/20 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
SCHEMBL8116711 0.91 POLB (0.49) PIM3RPS6KB1MATKDYRK1AMAPKAPK3
SCHEMBL10444023 0.87 POLB (0.49) PIM3RPS6KB1MATKDYRK1AMAPKAPK3
SCHEMBL8010003 0.86 RPS6KB1 (0.51) PIM3RPS6KB1MATKDYRK1AMAPKAPK3
SCHEMBL7997604 0.86 RPS6KB1 (0.51) PIM3RPS6KB1MATKDYRK1AMAPKAPK3
SCHEMBL7997606 0.86 RPS6KB1 (0.51) PIM3RPS6KB1MATKDYRK1AMAPKAPK3
SCHEMBL7997969 0.84 CYP3A4 (0.34) POLBCYP3A4KCNH2MEN1KMT2A
SCHEMBL7997798 0.84 KCNH2 (0.45) PIM3RPS6KB1MATKDYRK1AMAPKAPK3
SCHEMBL10443387 0.83 MEN1 (0.51) PIM3RPS6KB1MATKDYRK1AMAPKAPK3
SCHEMBL10509377 0.83 MEN1 (0.51) PIM3RPS6KB1MATKDYRK1AMAPKAPK3
SCHEMBL6160126 0.81 KCNH2 (0.35) PIM3RPS6KB1MATKDYRK1AMAPKAPK3

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