SCHEMBL8285154

SCHEMBL8285154

O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(N3CCOCC3)cc(C(F)(F)F)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 1.00
PIK3CB P42338 13/20 0.45
PIK3CD O00329 10/20 0.45
PIK3CA P42336 8/20 0.45
NPSR1 Q6W5P4 1/20 0.41
PIK3CG P48736 4/20 0.39
TP53 P04637 1/20 0.39
PIK3R1 P27986 1/20 0.39
CSNK1A1 P48729 1/20 0.39
PTK2 Q05397 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
BRAF P15056 1/20 0.38
AKT1 P31749 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL8286364 0.93 PDE11A (0.87) PDE11APIK3CBPIK3CDPIK3CALMNA
SCHEMBL5871369 0.90 PDE11A (0.82) PDE11APIK3CBPIK3CDPIK3CANPSR1
SCHEMBL8287391 0.90 PDE11A (0.81) PDE11APIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL8285151 0.89 PDE11A (0.80) PDE11ATP53PTK2CLK4LMNA
SCHEMBL8285158 0.89 PDE11A (0.80) PDE11ATP53PTK2CLK4KDM4E
SCHEMBL8286385 0.88 PDE11A (0.79) PDE11APIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL8287152 0.85 PDE11A (0.75) PDE11AKDM4E
SCHEMBL5872109 0.85 PDE11A (0.75) PDE11APIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL8285260 0.85 PDE11A (0.73) PDE11ANPSR1LMNAHTTKDM4E
SCHEMBL8287889 0.84 PDE11A (0.73) PDE11A

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