SCHEMBL8287281

SCHEMBL8287281

Nc1cncc2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.38
HPGD P15428 3/20 0.38
MAPK1 P28482 3/20 0.38
PDE11A Q9HCR9 1/20 0.37
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CCND2 P30279 1/20 0.36
CCND3 P30281 1/20 0.36
GSK3B P49841 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
GFER P55789 1/20 0.33
CSF1R P07333 1/20 0.32
MAPT P10636 4/20 0.32
RECQL P46063 1/20 0.32
KDM4E B2RXH2 2/20 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
SCHEMBL8287246 0.86 GAA (0.39) GAAHPGDMAPK1PDE11ACDK4
SCHEMBL8286454 0.85 GAA (0.38) GAAHPGDMAPK1PDE11ACDK4
SCHEMBL5872272 0.85 GAA (0.38) GAAHPGDMAPK1PDE11ACDK4
SCHEMBL8287214 0.85 GAA (0.44) GAAHPGDMAPK1PDE11ACDK4
SCHEMBL8285362 0.84 GAA (0.36) GAAHPGDMAPK1PDE11ACDK4
SCHEMBL8287501 0.83 GAA (0.39) GAAHPGDMAPK1PDE11ACDK4
SCHEMBL8287991 0.83 GAA (0.39) GAAHPGDMAPK1PDE11ACDK4
SCHEMBL8287251 0.83 GAA (0.36) GAAHPGDMAPK1PDE11ACDK4
SCHEMBL8286163 0.82 BRAF (0.40) GAAHPGDMAPK1PDE11AGSK3B
SCHEMBL8287255 0.82 GAA (0.39) GAAHPGDMAPK1PDE11ACDK4

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