SCHEMBL8286552

SCHEMBL8286552

CNC(=O)CCc1cncc2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
GAA P10253 3/20 0.33
HPGD P15428 2/20 0.33
NR4A2 P43354 1/20 0.33
PDE11A Q9HCR9 1/20 0.33
GFER P55789 1/20 0.33
NOTUM Q6P988 1/20 0.33
MAT2A P31153 1/20 0.33
MAPK1 P28482 1/20 0.33
NTRK1 P04629 4/20 0.33
ALDH1A1 P00352 2/20 0.33
CSF1R P07333 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MTNR1A P48039 1/20 0.33
RAB9A P51151 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 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
SCHEMBL8286560 0.91 MAPT (0.39) GAAHPGDNOTUMNTRK1ALDH1A1
SCHEMBL8287259 0.90 GAA (0.34) GAAHPGDPDE11AGFERMAT2A
SCHEMBL8286455 0.90 PLA2G4A (0.37) CCNCCDK8GAAHPGDPDE11A
SCHEMBL8287263 0.88 TSHR (0.40) CCNCCDK8GAAHPGDPDE11A
SCHEMBL8287273 0.88 PDE11A (0.34) GAAHPGDPDE11AGFERMAPK1
SCHEMBL8287270 0.87 HSD11B1 (0.40) GAAPDE11AGFERMAPT
SCHEMBL8286568 0.85 BACE1 (0.38) HPGDPDE11AALDH1A1KDM4EHDAC6
SCHEMBL8287590 0.84 CSF1R (0.35) GAAHPGDPDE11AGFERMAPK1
SCHEMBL8287501 0.84 GAA (0.39) GAAHPGDPDE11AGFERMAT2A
SCHEMBL8286557 0.84 NPC1 (0.40) GAAPDE11AALDH1A1MEN1KMT2A

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