SCHEMBL8285223

SCHEMBL8285223

Cc1cc(C(=O)C(C)C)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.44
POLB P06746 2/20 0.37
GSK3B P49841 2/20 0.36
GAA P10253 3/20 0.35
HPGD P15428 3/20 0.35
MAPK1 P28482 1/20 0.35
GFER P55789 1/20 0.35
MAPT P10636 1/20 0.34
CSF1R P07333 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCND2 P30279 1/20 0.33
CCND3 P30281 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL5872175 0.89 PDE11A (0.47) PDE11APOLBGSK3BGAAHPGD
SCHEMBL5871541 0.88 PDE11A (0.46) PDE11APOLBGSK3BGAAHPGD
SCHEMBL8287397 0.87 PDE11A (0.46) PDE11APOLBGSK3BGAAHPGD
SCHEMBL8287393 0.87 PDE11A (0.46) PDE11APOLBHPGDMAPK1MAPT
SCHEMBL8286401 0.87 PDE11A (0.42) PDE11APOLBGSK3BGAAHPGD
SCHEMBL8285181 0.87 PDE11A (0.42) PDE11APOLBGSK3BGAAHPGD
SCHEMBL8285169 0.86 PDE11A (0.45) PDE11APOLBGSK3BGAAHPGD
SCHEMBL8287518 0.85 PDE11A (0.44) PDE11APOLBGSK3BGAAHPGD
SCHEMBL8286396 0.84 PDE11A (0.44) PDE11APOLBGAAHPGDMAPK1
SCHEMBL8286399 0.84 PDE11A (0.46) PDE11APOLBGSK3BGAAHPGD

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