SCHEMBL8288002

SCHEMBL8288002

Cc1cc2c(cn1)c(=O)c(CN(C)C)c(Nc1ccccc1)n2-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.36
HDAC6 Q9UBN7 1/20 0.35
MAT2A P31153 3/20 0.35
CYP2D6 P10635 3/20 0.34
CYP1A2 P05177 3/20 0.34
HPGD P15428 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCND2 P30279 1/20 0.34
CCND3 P30281 1/20 0.34
MAPK8 P45983 3/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33

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
SCHEMBL8287580 0.87 GSK3B (0.38) GSK3BMAT2ACYP1A2HPGDCDK4
SCHEMBL8358810 0.85 GSK3B (0.36) GSK3BCYP1A2CYP2C9CYP2C19CDK4
SCHEMBL8286206 0.84 NPC1 (0.38) GSK3BCYP1A2CYP2C9CYP2C19MAPK8
SCHEMBL8287541 0.83 GSK3B (0.41) GSK3BMAT2ACYP1A2HPGDCDK4
SCHEMBL8285356 0.82 GSK3B (0.40) GSK3BMAT2ACYP1A2HPGDCYP2C9
SCHEMBL8287492 0.81 GSK3B (0.40) GSK3BMAT2ACYP1A2HPGDCYP2C9
SCHEMBL8286164 0.81 ALDH1A1 (0.34) GSK3BMAPK8ALDH1A1LMNACSF1R
SCHEMBL8285347 0.81 MAPK8 (0.37) GSK3BMAT2ACYP2D6HPGDCYP2C19
SCHEMBL8285349 0.81 GSK3B (0.36) GSK3BMAT2ACYP1A2HPGDCYP2C9
SCHEMBL8288004 0.80 MAPK8 (0.49) CYP1A2HPGDCYP2C9CYP2C19MAPK8

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