SCHEMBL7997604

SCHEMBL7997604

Cc1c(F)c(N2CCC(N)C2)c(F)c2c1c(=O)c(C(=O)O)cn2[C@@H]1C[C@@H]1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 1/20 0.51
MATK P42679 1/20 0.51
DYRK1A Q13627 1/20 0.51
MAPKAPK3 Q16644 1/20 0.51
PIM3 Q86V86 1/20 0.51
AURKB Q96GD4 1/20 0.51
POLB P06746 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KCNH2 Q12809 3/20 0.47
CACNA1F O60840 1/20 0.47
MAPK1 P28482 1/20 0.47
CACNA1D Q01668 1/20 0.47
CACNA1S Q13698 1/20 0.47
CACNA1C Q13936 1/20 0.47

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
SCHEMBL7997606 1.00 RPS6KB1 (0.51) RPS6KB1MATKDYRK1AMAPKAPK3PIM3
SCHEMBL8010003 1.00 RPS6KB1 (0.51) RPS6KB1MATKDYRK1AMAPKAPK3PIM3
SCHEMBL13483614 0.90 POLB (0.59) RPS6KB1MATKDYRK1AMAPKAPK3PIM3
SCHEMBL8110587 0.90 POLB (0.61) RPS6KB1MATKDYRK1AMAPKAPK3PIM3
SCHEMBL8111877 0.86 POLB (0.61) RPS6KB1MATKDYRK1AMAPKAPK3PIM3
SCHEMBL27508959 0.86 POLB (0.61) RPS6KB1MATKDYRK1AMAPKAPK3PIM3
SCHEMBL8007488 0.86 PIM3 (0.41) RPS6KB1MATKDYRK1AMAPKAPK3PIM3
SCHEMBL9086601 0.83 POLB (0.58) RPS6KB1MATKDYRK1AMAPKAPK3PIM3
SCHEMBL9089659 0.83 POLB (0.58) RPS6KB1MATKDYRK1AMAPKAPK3PIM3
SCHEMBL9089266 0.83 POLB (0.58) RPS6KB1MATKDYRK1AMAPKAPK3PIM3

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
EP-0593766-B1 PYRIDONECARBOXYLIC ACID DERIVATIVE DAIICHI SEIYAKU CO (JP) 2000-09-06 EP claimed
EP-0593766-A1 PYRIDONECARBOXYLIC ACID DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP claimed
EP-0593766-B1 PYRIDONECARBOXYLIC ACID DERIVATIVE DAIICHI SEIYAKU CO (JP) 2000-09-06 EP disclosed
EP-0593766-A1 PYRIDONECARBOXYLIC ACID DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed