SCHEMBL8285272

SCHEMBL8285272

C=CCNc1nc(C)cc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.37
GAA P10253 4/20 0.36
HPGD P15428 4/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 5/20 0.34
ALDH1A1 P00352 5/20 0.34
HTT P42858 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 4/20 0.34
RAB9A P51151 2/20 0.34
HSD17B10 Q99714 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 2/20 0.33
MAT2A P31153 2/20 0.33
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
NPY1R P25929 1/20 0.33

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
SCHEMBL8287944 0.86 GAA (0.43) PDE11AGAAHPGDMAPK1LMNA
SCHEMBL8358804 0.85 MAT2A (0.41) PDE11AGAAHPGDMAPK1LMNA
SCHEMBL8286535 0.84 OPRK1 (0.45) PDE11AGAAHPGDMAPK1ALDH1A1
SCHEMBL8286423 0.83 KCNH3 (0.42) PDE11AGAAHPGDMAPK1LMNA
SCHEMBL5871913 0.83 ALDH1A1 (0.42) GAAHPGDMAPK1ALDH1A1HTT
SCHEMBL8285359 0.82 KDM4E (0.47) PDE11AGAAHPGDMAPK1LMNA
SCHEMBL5872108 0.81 GAA (0.44) PDE11AGAAHPGDMAPK1LMNA
SCHEMBL8287206 0.80 PDE11A (0.40) PDE11AGAAHPGDMAPK1LMNA
SCHEMBL8286190 0.79 MAPT (0.40) PDE11AGAAHPGDMAPK1LMNA
SCHEMBL8286460 0.79 PDE11A (0.43) PDE11AGAAHPGDMAPK1LMNA

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