SCHEMBL8286576

SCHEMBL8286576

O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2cc(CN3CCOCC3)ncc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.44
MAPK8 P45983 2/20 0.40
MAPK9 P45984 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK10 P53779 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
CSNK2A1 P68400 1/20 0.37
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
MAT2A P31153 1/20 0.36
CXCR4 P61073 1/20 0.36
NPSR1 Q6W5P4 3/20 0.35
KCNH2 Q12809 1/20 0.35
MOK Q9UQ07 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL8287283 0.86 PDE11A (0.34) PDE11AHPGDMAT2ALMNAGAA
SCHEMBL8287452 0.83 PDE11A (0.55) PDE11AMAPK8ALDH1A1NPC1MAT2A
SCHEMBL8287611 0.82 L3MBTL1 (0.36) PDE11AALDH1A1NPC1HPGDMAT2A
SCHEMBL8286150 0.81 GSK3B (0.39) PDE11AMEN1KMT2AMAPK13MAPK12
SCHEMBL8287617 0.81 GSK3B (0.37) PDE11AMEN1KMT2AALDH1A1HPGD
SCHEMBL8286162 0.81 GSK3B (0.37) PDE11AALDH1A1HPGDMAT2AGAA
SCHEMBL8286148 0.80 GSK3B (0.36) PDE11AMAPK8MAPK9MEN1KMT2A
SCHEMBL8287455 0.80 MAT2A (0.36) PDE11AMAPK8MAPK9MEN1KMT2A
SCHEMBL8287462 0.80 PDE11A (0.44) PDE11AALDH1A1HPGDNPSR1GAA
SCHEMBL8287591 0.79 LMNA (0.42) PDE11ACSNK2A1ALDH1A1HPGDNPSR1

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