SCHEMBL8285282

SCHEMBL8285282

CCS(=O)(=O)N1CCN(c2cc3c(cn2)c(=O)cc(Nc2ccccc2)n3-c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 2/20 0.42
PDE11A Q9HCR9 1/20 0.40
HSD17B10 Q99714 3/20 0.38
CXCR3 P49682 1/20 0.36
KMT2A Q03164 4/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 2/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
WEE1 P30291 1/20 0.34
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
GSK3B P49841 1/20 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
SCHEMBL8362922 0.92 ALDH1A1 (0.42) ALDH1A1MAPTPDE11AKMT2ALMNA
SCHEMBL8287520 0.89 PDE11A (0.39) ALDH1A1PDE11AKMT2ALMNAMEN1
SCHEMBL8287497 0.88 PDE11A (0.46) ALDH1A1MAPTKDM4EPDE11AKMT2A
SCHEMBL8361778 0.87 CDK4 (0.43) ALDH1A1PDE11AHSD17B10WEE1GSK3B
SCHEMBL8287223 0.87 PDE11A (0.39) ALDH1A1MAPTPDE11AKMT2ALMNA
SCHEMBL8287227 0.87 PDE11A (0.37) ALDH1A1MAPTPDE11AKMT2ALMNA
SCHEMBL8286467 0.86 PDE11A (0.44) ALDH1A1MAPTKDM4EPDE11ALMNA
SCHEMBL8285284 0.85 CKS1B (0.45) MAPTKDM4EPDE11AKMT2A
SCHEMBL8287210 0.85 PDE11A (0.43) ALDH1A1MAPTKDM4EPDE11ALMNA
SCHEMBL8287220 0.84 CKS1B (0.41) MAPTPDE11AKMT2AMAPK1WEE1

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