SCHEMBL8286352

SCHEMBL8286352

CC(C)Oc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.60
HCRTR1 O43613 9/20 0.40
HCRTR2 O43614 8/20 0.40
WEE1 P30291 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
GSK3B P49841 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL8286090 0.89 PDE11A (0.48) PDE11AHCRTR1HCRTR2GAA
SCHEMBL8287868 0.88 PDE11A (0.47) PDE11AHCRTR1HCRTR2MAPTLMNA
SCHEMBL8287101 0.86 PDE11A (0.60) PDE11AHCRTR1HCRTR2WEE1
SCHEMBL8287148 0.86 PDE11A (0.62) PDE11AWEE1MEN1KMT2AMAPT
SCHEMBL8286349 0.85 PDE11A (0.61) PDE11AHCRTR1HCRTR2WEE1MEN1
SCHEMBL8286350 0.85 PDE11A (0.58) PDE11AHCRTR1HCRTR2WEE1MEN1
SCHEMBL8286353 0.84 PDE11A (0.57) PDE11AHCRTR1HCRTR2WEE1MEN1
SCHEMBL8287155 0.83 PDE11A (0.59) PDE11AHCRTR1HCRTR2WEE1MEN1
SCHEMBL8287215 0.83 PDE11A (0.61) PDE11AHCRTR1HCRTR2
SCHEMBL8287174 0.83 PDE11A (0.58) PDE11AHCRTR1HCRTR2WEE1MEN1

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