SCHEMBL8286175

SCHEMBL8286175

O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2c(CO)cncc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.36
HPGD P15428 2/20 0.36
MAPK1 P28482 2/20 0.36
PDE11A Q9HCR9 1/20 0.35
MAPT P10636 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCND2 P30279 1/20 0.34
CCND3 P30281 1/20 0.34
TOP2A P11388 1/20 0.33
TOP2B Q02880 1/20 0.33
GFER P55789 1/20 0.33
CSF1R P07333 1/20 0.33
GSK3B P49841 1/20 0.32
HTT P42858 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL8287501 0.89 GAA (0.39) GAAHPGDMAPK1PDE11AMAPT
SCHEMBL8285362 0.88 GAA (0.36) GAAHPGDMAPK1PDE11AMAPT
SCHEMBL8285288 0.87 NPC1 (0.36) GAAHPGDMAPK1PDE11AMAPT
SCHEMBL8285360 0.87 MAPT (0.41) GAAHPGDMAPK1PDE11AMAPT
SCHEMBL8286455 0.87 PLA2G4A (0.37) GAAHPGDMAPK1PDE11ACDK4
SCHEMBL8286554 0.86 ALDH1A1 (0.35) GAAHPGDMAPK1PDE11AMAPT
SCHEMBL8285357 0.85 KCNJ6 (0.36) GAAHPGDMAPK1PDE11ACDK4
SCHEMBL8286187 0.85 GAA (0.36) GAAHPGDMAPK1PDE11AMAPT
SCHEMBL8285350 0.85 GAA (0.36) GAAHPGDMAPK1PDE11AMAPT
SCHEMBL8287273 0.85 PDE11A (0.34) GAAHPGDMAPK1PDE11ACDK4

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