SCHEMBL8286459

SCHEMBL8286459

Cc1cc2c(c(C(C)C)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.41
GAA P10253 7/20 0.40
HPGD P15428 3/20 0.40
MAPK1 P28482 3/20 0.40
GSK3B P49841 3/20 0.39
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GFER P55789 1/20 0.35
MAPT P10636 2/20 0.34
TSHR P16473 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
LOX P28300 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL8287970 0.86 PDE11A (0.38) PDE11AGAAHPGDMAPK1GSK3B
SCHEMBL5872108 0.86 GAA (0.44) PDE11AGAAHPGDMAPK1GSK3B
SCHEMBL8287944 0.85 GAA (0.43) PDE11AGAAHPGDMAPK1GSK3B
SCHEMBL8287981 0.84 PDE11A (0.39) PDE11AGAAHPGDMAPK1GSK3B
SCHEMBL8286573 0.84 GAA (0.42) PDE11AGAAHPGDMAPK1GSK3B
SCHEMBL5871824 0.84 GAA (0.44) PDE11AGAAHPGDMAPK1GSK3B
SCHEMBL8287934 0.84 MAT2A (0.43) PDE11AGAAHPGDMAPK1GSK3B
SCHEMBL8286141 0.84 PDE11A (0.39) PDE11AGAAHPGDMAPK1GSK3B
SCHEMBL8287986 0.83 PDE11A (0.36) PDE11AGAAHPGDMAPK1GSK3B
SCHEMBL5872043 0.83 GAA (0.41) PDE11AGAAHPGDMAPK1GSK3B

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
WO-2005091857-A2 1,6-NAPHTHYRIDINE AND 1,8-NAPHTHYRIDINE DERIVATIVES AND THEIR USE TO TREAT DIABETES AND RELATED DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2005-10-06 WO disclosed
WO-2003027112-A1 1, 8-NAPHTHYRIDINE DERIVATIVES AS ANTIDIABETICS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed