SCHEMBL8286473

SCHEMBL8286473

O=C(O)/C=C/c1cncc2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.36
AURKA O14965 1/20 0.36
GSK3A P49840 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MDM2 Q00987 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACHE P22303 1/20 0.34
GAA P10253 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC10 Q969S8 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
RHOA P61586 1/20 0.33
PDE11A Q9HCR9 1/20 0.33
RXRA P19793 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
GFER P55789 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
SCHEMBL8285289 0.90 CCNC (0.37) GSK3BMEN1KMT2ASMN1; SMN2GAA
SCHEMBL8287251 0.85 GAA (0.36) GSK3BMEN1KMT2ASMN1; SMN2GAA
SCHEMBL8287991 0.81 GAA (0.39) GSK3BNPC1RAB9ASMN1; SMN2GAA
SCHEMBL8287246 0.79 GAA (0.39) GSK3BMEN1KMT2ASMN1; SMN2GAA
SCHEMBL5872272 0.78 GAA (0.38) GSK3BMEN1KMT2ANPC1RAB9A
SCHEMBL8287214 0.78 GAA (0.44) GSK3BMEN1KMT2ASMN1; SMN2GAA
SCHEMBL8286454 0.78 GAA (0.38) GSK3BAURKAGSK3AMEN1KMT2A
SCHEMBL8287281 0.78 GAA (0.38) GSK3BMEN1KMT2ANPC1RAB9A
SCHEMBL8287257 0.78 RAB9A (0.40) AURKAMEN1KMT2ANPC1RAB9A
SCHEMBL8360854 0.78 MAPK14 (0.38) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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