SCHEMBL8286164

SCHEMBL8286164

Cc1cc2c(cn1)c(=O)c(COCC1CC1)c(Nc1ccccc1)n2-c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GSK3B P49841 3/20 0.34
PIK3CA P42336 1/20 0.34
PRKDC P78527 1/20 0.34
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
MAPK8 P45983 12/20 0.33
CSF1R P07333 1/20 0.33
MAPK9 P45984 5/20 0.32
MAPK10 P53779 2/20 0.32
BUB1 O43683 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
SCHEMBL8358810 0.87 GSK3B (0.36) ALDH1A1LMNAGSK3BMAPK8CSF1R
SCHEMBL8286206 0.86 NPC1 (0.38) ALDH1A1LMNAL3MBTL1GSK3BPIK3CA
SCHEMBL8286126 0.84 MAPK8 (0.46) ALDH1A1LMNAL3MBTL1GSK3BMAPK8
SCHEMBL8285347 0.83 MAPK8 (0.37) ALDH1A1GSK3BGABRA5MAPK8CSF1R
SCHEMBL8287580 0.83 GSK3B (0.38) ALDH1A1GSK3BMAPK8CSF1RMAPK9
SCHEMBL8288002 0.81 GSK3B (0.36) ALDH1A1LMNAGSK3BMAPK8CSF1R
SCHEMBL8287541 0.79 GSK3B (0.41) ALDH1A1LMNAGSK3BCSF1R
SCHEMBL8288004 0.78 MAPK8 (0.49) ALDH1A1LMNAMAPK8MAPK9
SCHEMBL8285356 0.78 GSK3B (0.40) ALDH1A1LMNAGSK3BCSF1RBUB1
SCHEMBL8287492 0.77 GSK3B (0.40) ALDH1A1LMNAGSK3BPIK3CAPRKDC

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