SCHEMBL8286182

SCHEMBL8286182

CN(C)C(=O)CNc1cncc2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 3/20 0.46
CSF1R P07333 1/20 0.35
SYK P43405 1/20 0.35
NTRK1 P04629 1/20 0.34
GAA P10253 3/20 0.33
MAPK1 P28482 2/20 0.33
GFER P55789 1/20 0.33
ATM Q13315 1/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
TSPO P30536 1/20 0.33
PDE11A Q9HCR9 1/20 0.32
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TNK2 Q07912 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
SCHEMBL8286178 0.89 GAA (0.36) MAT2ACSF1RGAAMAPK1GFER
SCHEMBL8286173 0.87 GAA (0.36) MAT2ACSF1RGAAMAPK1GFER
SCHEMBL8286211 0.87 MAP3K8 (0.34) MAT2ACSF1RSYKNTRK1GAA
SCHEMBL8286174 0.83 BRAF (0.39) MAT2AGAAMAPK1GFERHPGD
SCHEMBL8287246 0.83 GAA (0.39) GAAMAPK1GFERHPGDKDM4E
SCHEMBL8287276 0.83 MAT2A (0.40) MAT2AGAAMAPK1HPGDKDM4E
SCHEMBL8286184 0.82 ALDH1A1 (0.39) GAAALDH1A1
SCHEMBL8285367 0.82 KCNJ6 (0.37) NTRK1GAAMAPK1GFERHPGD
SCHEMBL8287252 0.82 CXCR2 (0.37) MAT2ACSF1RNTRK1GAAMAPK1
SCHEMBL8287280 0.81 RAB9A (0.43) GAAMAPK1HPGDKDM4EHTT

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