SCHEMBL8286178

SCHEMBL8286178

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.36
MAT2A P31153 2/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
GFER P55789 1/20 0.34
PDE11A Q9HCR9 1/20 0.34
CSF1R P07333 1/20 0.33
MAPT P10636 3/20 0.33
KDM4C Q9H3R0 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
MAP3K8 P41279 2/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CCND2 P30279 1/20 0.32
CCND3 P30281 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
PARP1 P09874 1/20 0.32
ALDH1A1 P00352 2/20 0.32
ALDH1A2 O94788 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
SCHEMBL8286211 0.92 MAP3K8 (0.34) GAAMAT2AHPGDMAPK1GFER
SCHEMBL8286173 0.90 GAA (0.36) GAAMAT2AHPGDMAPK1GFER
SCHEMBL8286182 0.89 MAT2A (0.46) GAAMAT2AHPGDMAPK1GFER
SCHEMBL8287246 0.87 GAA (0.39) GAAHPGDMAPK1GFERPDE11A
SCHEMBL8287276 0.87 MAT2A (0.40) GAAMAT2AHPGDMAPK1MAPT
SCHEMBL8286184 0.86 ALDH1A1 (0.39) GAAMAPTALDH1A1RAB9A
SCHEMBL8286174 0.86 BRAF (0.39) GAAMAT2AHPGDMAPK1GFER
SCHEMBL8287280 0.85 RAB9A (0.43) GAAHPGDMAPK1PDE11AMAPT
SCHEMBL8285367 0.84 KCNJ6 (0.37) GAAHPGDMAPK1GFERMAPT
SCHEMBL8287991 0.82 GAA (0.39) GAAHPGDMAPK1GFERPDE11A

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