SCHEMBL8286391

SCHEMBL8286391

CNC(=O)CCc1cc(C)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.44
POLB P06746 1/20 0.37
SLC2A1 P11166 1/20 0.36
MAPT P10636 7/20 0.36
KDM4E B2RXH2 4/20 0.36
HPGD P15428 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 3/20 0.35
MAPK1 P28482 2/20 0.35
NR4A2 P43354 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GFER P55789 1/20 0.35
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
TP53 P04637 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 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
SCHEMBL8286380 0.92 PDE11A (0.44) PDE11ASLC2A1MAPTKDM4EHPGD
SCHEMBL8285245 0.91 PDE11A (0.46) PDE11APOLBMAPTKDM4EHPGD
SCHEMBL8286376 0.90 PDE11A (0.45) PDE11APOLBMAPTKDM4EHPGD
SCHEMBL8286381 0.85 PDE11A (0.45) PDE11APOLBMAPTKDM4EHPGD
SCHEMBL8285248 0.85 PDE11A (0.46) PDE11APOLBMAPTKDM4EHPGD
SCHEMBL8285207 0.85 PDE11A (0.38) PDE11ASLC2A1MAPTALDH1A1GAA
SCHEMBL8287467 0.84 PDE11A (0.45) PDE11ASLC2A1MAPTKDM4EHPGD
SCHEMBL8287571 0.83 NR4A2 (0.37) PDE11APOLBSLC2A1MAPTKDM4E
SCHEMBL8362903 0.80 PDE11A (0.56) PDE11APOLBMAPTALDH1A1GAA
SCHEMBL8285149 0.79 PDE11A (0.47) PDE11APOLBMAPTKDM4EHPGD

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