SCHEMBL8286385

SCHEMBL8286385

O=c1cc(Nc2cccc(F)c2)n(-c2cccc(F)c2)c2nc(N3CCOCC3)cc(C(F)(F)F)c12

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.79
PIK3CB P42338 9/20 0.42
PIK3CD O00329 8/20 0.42
PIK3CA P42336 5/20 0.42
AKT1 P31749 3/20 0.42
KDM4E B2RXH2 1/20 0.41
DGAT1 O75907 1/20 0.40
BRAF P15056 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
MAPK1 P28482 1/20 0.39
PIK3CG P48736 3/20 0.38
CHEK1 O14757 1/20 0.38
TP53 P04637 1/20 0.37
MTOR P42345 1/20 0.36
SMG1 Q96Q15 1/20 0.36

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
SCHEMBL8285154 0.88 PDE11A (1.00) PDE11APIK3CBPIK3CDPIK3CAAKT1
SCHEMBL8287391 0.86 PDE11A (0.81) PDE11APIK3CBPIK3CDPIK3CAAKT1
SCHEMBL8286388 0.86 PDE11A (0.58) PDE11APIK3CBPIK3CDPIK3CAKDM4E
SCHEMBL8286364 0.82 PDE11A (0.87) PDE11APIK3CBPIK3CDPIK3CAKDM4E
SCHEMBL5871369 0.79 PDE11A (0.82) PDE11APIK3CBPIK3CDPIK3CATP53
SCHEMBL8286378 0.79 PDE11A (0.49) PDE11ATP53
SCHEMBL8287524 0.78 PDE11A (0.69) PDE11APIK3CBPIK3CDPIK3CAAKT1
SCHEMBL8285151 0.78 PDE11A (0.80) PDE11ATP53
SCHEMBL8285158 0.78 PDE11A (0.80) PDE11AKDM4ETP53
SCHEMBL8287868 0.77 PDE11A (0.47) PDE11ATP53

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