SCHEMBL8286131

SCHEMBL8286131

Cc1nc2c(cc1CNc1ccccc1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
NPSR1 Q6W5P4 2/20 0.40
PDE11A Q9HCR9 1/20 0.39
CCNE1 P24864 5/20 0.39
CDK2 P24941 5/20 0.39
ALDH1A1 P00352 4/20 0.39
CDK1 P06493 3/20 0.39
CCNB1 P14635 3/20 0.39
ALDH1A2 O94788 1/20 0.39
ALDH1A3 P47895 1/20 0.39
GAA P10253 4/20 0.37
HTT P42858 3/20 0.37
KDM4E B2RXH2 3/20 0.37
ALOX15 P16050 2/20 0.37
ALOX12 P18054 1/20 0.37
HPGD P15428 2/20 0.36
MAPK1 P28482 2/20 0.36
MAT2A P31153 1/20 0.35
LMNA P02545 3/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL8285235 0.90 PDE11A (0.41) MAPTNPSR1PDE11AALDH1A1ALDH1A2
SCHEMBL8286134 0.89 ALDH1A1 (0.39) MAPTNPSR1PDE11AALDH1A1ALDH1A2
SCHEMBL8286420 0.88 PDE11A (0.40) MAPTNPSR1PDE11AALDH1A1GAA
SCHEMBL8287503 0.88 PDE11A (0.40) MAPTNPSR1PDE11AALDH1A1ALDH1A2
SCHEMBL8287150 0.88 PDE11A (0.40) MAPTNPSR1PDE11AALDH1A1GAA
SCHEMBL8285219 0.87 PDE11A (0.39) NPSR1PDE11AALDH1A1ALDH1A3GAA
SCHEMBL8287892 0.86 PDE11A (0.39) MAPTNPSR1PDE11ACCNE1CDK2
SCHEMBL8285233 0.86 PDE11A (0.39) MAPTNPSR1PDE11AALDH1A1ALDH1A2
SCHEMBL8287426 0.85 CYP3A4 (0.42) MAPTNPSR1PDE11ACCNE1CDK2
SCHEMBL8286404 0.85 PDE11A (0.40) PDE11AALDH1A1GAAHTTKDM4E

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