SCHEMBL8285165

SCHEMBL8285165

Cc1cc(N2CCN(S(=O)(=O)C(C)C)CC2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.54
BRD4 O60885 2/20 0.38
JAK2 O60674 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
KMT2A Q03164 2/20 0.36
PIK3CB P42338 4/20 0.35
PIK3CD O00329 2/20 0.35
PIK3CA P42336 2/20 0.35
NAMPT P43490 1/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
GBA1 P04062 1/20 0.34
HTR1A P08908 1/20 0.34
PIK3R1 P27986 1/20 0.34
CSNK1A1 P48729 1/20 0.34
PIK3CG P48736 1/20 0.34
PTK2 Q05397 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
DRD2 P14416 1/20 0.33

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
SCHEMBL5871831 0.91 PDE11A (0.57) PDE11ABRD4JAK2KMT2APIK3CB
SCHEMBL8285164 0.89 PDE11A (0.55) PDE11ACNR1CNR2KMT2APIK3CB
SCHEMBL8286050 0.88 PDE11A (0.54) PDE11AKMT2AMAPT
SCHEMBL8286344 0.88 PDE11A (0.64) PDE11AKMT2APIK3CBPIK3CDPIK3CA
SCHEMBL8285166 0.87 PDE11A (0.60) PDE11AKMT2APIK3CBPIK3CDPIK3CA
SCHEMBL8285176 0.86 PDE11A (0.52) PDE11AKMT2AMAPT
SCHEMBL8286346 0.86 PDE11A (0.61) PDE11AKMT2APIK3CBPIK3CDPIK3CA
SCHEMBL8286342 0.85 PDE11A (0.60) PDE11AKMT2APIK3CBPIK3CDPIK3CA
SCHEMBL5871598 0.83 PDE11A (0.58) PDE11AKMT2APIK3CBPIK3CDPIK3CA
SCHEMBL5872109 0.83 PDE11A (0.75) PDE11APIK3CBPIK3CDPIK3CAMAPT

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