SCHEMBL8285347

SCHEMBL8285347

Cc1cc2c(cn1)c(=O)c(COc1ccccn1)c(Nc1ccccc1)n2-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 7/20 0.37
GABRA5 P31644 1/20 0.35
GSK3B P49841 3/20 0.34
MAT2A P31153 1/20 0.33
POLB P06746 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
CSF1R P07333 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
MAPK9 P45984 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
SCHEMBL8286206 0.88 NPC1 (0.38) MAPK8GSK3BALDH1A1CSF1RMEN1
SCHEMBL8358810 0.87 GSK3B (0.36) MAPK8GSK3BALDH1A1CSF1RMEN1
SCHEMBL8286138 0.83 MAT2A (0.43) MAPK8GABRA5GSK3BMAT2APOLB
SCHEMBL8286164 0.83 ALDH1A1 (0.34) MAPK8GABRA5GSK3BALDH1A1CSF1R
SCHEMBL8287580 0.83 GSK3B (0.38) MAPK8GSK3BMAT2AALDH1A1KDM4E
SCHEMBL8288002 0.81 GSK3B (0.36) MAPK8GSK3BMAT2APOLBALDH1A1
SCHEMBL8287541 0.79 GSK3B (0.41) GSK3BMAT2AALDH1A1HPGDCSF1R
SCHEMBL8285356 0.78 GSK3B (0.40) GSK3BMAT2AALDH1A1HPGDCSF1R
SCHEMBL8287492 0.77 GSK3B (0.40) GSK3BMAT2AALDH1A1KDM4EHPGD
SCHEMBL8288004 0.76 MAPK8 (0.49) MAPK8ALDH1A1KDM4EHPGDMEN1

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