SCHEMBL8285156

SCHEMBL8285156

CNC(=O)CNc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.56
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
WEE1 P30291 1/20 0.33
PTK2 Q05397 1/20 0.33
HTT P42858 2/20 0.33
MAT2A P31153 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
GSK3B P49841 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 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
SCHEMBL8285152 0.92 PDE11A (0.56) PDE11AHCRTR1HCRTR2CNR1CNR2
SCHEMBL8287840 0.91 PDE11A (0.54) PDE11AHCRTR1HCRTR2CNR1CNR2
SCHEMBL8287114 0.91 PDE11A (0.59) PDE11AHCRTR1HCRTR2CNR1CNR2
SCHEMBL8287838 0.89 PDE11A (0.57) PDE11AHCRTR1HCRTR2CNR1CNR2
SCHEMBL8287845 0.89 PDE11A (0.55) PDE11AHCRTR1HCRTR2CNR1CNR2
SCHEMBL8285159 0.88 PDE11A (0.53) PDE11AHCRTR1HCRTR2MEN1KMT2A
SCHEMBL8287105 0.87 PDE11A (0.53) PDE11AHCRTR1HCRTR2CNR1CNR2
SCHEMBL8362903 0.86 PDE11A (0.56) PDE11ACNR1CNR2MEN1KMT2A
SCHEMBL8286369 0.85 PDE11A (0.59) PDE11AHCRTR1HCRTR2CNR1CNR2
SCHEMBL8285142 0.84 PDE11A (0.60) PDE11AMEN1KMT2APTK2HTT

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