SCHEMBL8285172

SCHEMBL8285172

CC(C)Oc1nc2c(cc1F)c(=O)cc(Nc1ccccc1)n2-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.40
GSK3B P49841 3/20 0.36
ALDH1A1 P00352 2/20 0.34
ALDH1A3 P47895 2/20 0.34
ALDH1A2 O94788 1/20 0.34
MAT2A P31153 2/20 0.34
TOP2A P11388 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCND2 P30279 1/20 0.33
CCND3 P30281 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
P2RX3 P56373 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
SCHEMBL5872005 0.88 MAT2A (0.43) PDE11AGSK3BALDH1A1ALDH1A3ALDH1A2
SCHEMBL8287374 0.85 PDE11A (0.40) PDE11AGSK3BALDH1A1ALDH1A3ALDH1A2
SCHEMBL8285182 0.83 PDE11A (0.39) PDE11AGSK3BALDH1A1ALDH1A3ALDH1A2
SCHEMBL5872009 0.82 PDE11A (0.44) PDE11AGSK3BALDH1A1ALDH1A3ALDH1A2
SCHEMBL5872062 0.80 PDE11A (0.44) PDE11AGSK3BALDH1A1ALDH1A3ALDH1A2
SCHEMBL8287383 0.79 PDE11A (0.41) PDE11AGSK3BALDH1A1ALDH1A3ALDH1A2
SCHEMBL5872128 0.78 PDE11A (0.43) PDE11AGSK3BALDH1A1ALDH1A3ALDH1A2
SCHEMBL8287382 0.78 PDE11A (0.43) PDE11AGSK3BALDH1A1ALDH1A3ALDH1A2
SCHEMBL5871661 0.78 PDE11A (0.42) PDE11AGSK3BALDH1A1ALDH1A3ALDH1A2
SCHEMBL8287521 0.77 PDE11A (0.40) PDE11AGSK3BALDH1A1ALDH1A3ALDH1A2

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