SCHEMBL8285157

SCHEMBL8285157

CC(C)Sc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.60
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
WEE1 P30291 1/20 0.36
GSK3B P49841 3/20 0.35
MAPT P10636 2/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
PIK3CD O00329 1/20 0.33
PIK3R2 O00459 1/20 0.33
PIK3CG P48736 1/20 0.33
CYP1A2 P05177 1/20 0.33
VCP P55072 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
GAA P10253 1/20 0.32
CDK4 P11802 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
SCHEMBL8287366 0.88 PDE11A (0.57) PDE11AMEN1KMT2AWEE1GSK3B
SCHEMBL5871867 0.86 PDE11A (0.54) PDE11AMEN1KMT2AWEE1CNR1
SCHEMBL7042467 0.86 PDE11A (0.60) PDE11AMEN1KMT2AWEE1GSK3B
SCHEMBL8287191 0.83 PDE11A (0.59) PDE11AMEN1KMT2AWEE1MAPT
SCHEMBL5871955 0.83 PDE11A (0.56) PDE11AMEN1KMT2AWEE1MAPT
SCHEMBL5871578 0.83 PDE11A (0.58) PDE11AMEN1KMT2AMAPTCNR1
SCHEMBL8287186 0.83 PDE11A (0.58) PDE11AMEN1KMT2AWEE1GSK3B
SCHEMBL8286352 0.82 PDE11A (0.60) PDE11AMEN1KMT2AWEE1GSK3B
SCHEMBL8286360 0.82 PDE11A (0.55) PDE11AMEN1KMT2AMAPTCNR1
SCHEMBL8360285 0.82 PDE11A (0.59) PDE11AMEN1KMT2AWEE1GSK3B

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