SCHEMBL8285183

SCHEMBL8285183

Cc1cc(C(O)c2cccs2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.41
POLB P06746 2/20 0.34
GAA P10253 3/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 2/20 0.32
MEN1 O00255 3/20 0.32
USP2 O75604 3/20 0.32
CYP1A2 P05177 3/20 0.32
CASP1 P29466 3/20 0.32
CASP7 P55210 3/20 0.32
KMT2A Q03164 3/20 0.32
CYP3A4 P08684 2/20 0.32
HBB P68871 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
HPGD P15428 3/20 0.32
LMNA P02545 2/20 0.32
MAPK1 P28482 1/20 0.32
BRCA1 P38398 1/20 0.32
GSK3B P49841 3/20 0.32
IDO1 P14902 1/20 0.31

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
SCHEMBL8285232 0.82 PDE11A (0.43) PDE11APOLBGAAMAPTHPGD
SCHEMBL8285175 0.82 PDE11A (0.44) PDE11APOLBGAAMAPTTP53
SCHEMBL8285216 0.79 PDE11A (0.43) PDE11APOLBGAAMAPTTP53
SCHEMBL5872175 0.78 PDE11A (0.47) PDE11APOLBGAAMAPTHPGD
SCHEMBL5871799 0.78 PDE11A (0.50) PDE11APOLBGAAMAPTTP53
SCHEMBL8285163 0.78 POLB (0.50) PDE11APOLBGAAMAPTTP53
SCHEMBL5871751 0.76 PDE11A (0.48) PDE11APOLBGAAMAPTTP53
SCHEMBL5871723 0.76 PDE11A (0.48) PDE11APOLBGAAMAPTTP53
SCHEMBL8286502 0.76 MAPT (0.33) PDE11APOLBMAPTMEN1USP2
SCHEMBL5871689 0.75 PDE11A (0.46) PDE11APOLBGAAMAPTTP53

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