SCHEMBL3647429

SCHEMBL3647429

[CH]1CCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DKK1 O94907 4/20 0.70
PIK3CA P42336 2/20 0.48
PIK3CD O00329 1/20 0.42
PIK3R1 P27986 1/20 0.42
PIK3CB P42338 1/20 0.42
SORD Q00796 1/20 0.42
CYP11B2 P19099 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GSK3B P49841 1/20 0.39
FAAH O00519 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39

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
SCHEMBL3652074 0.95 DKK1 (0.65) DKK1PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL3649404 0.92 DKK1 (0.64) DKK1PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL3648290 0.89 DKK1 (0.74) DKK1PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL3644943 0.89 DKK1 (0.74) DKK1PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL3650801 0.89 DKK1 (0.74) DKK1PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL3647434 0.87 DKK1 (0.72) DKK1PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL3649376 0.87 DKK1 (0.72) DKK1PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL3644569 0.85 DKK1 (0.69) DKK1PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL3650959 0.85 DKK1 (0.69) DKK1PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL3650963 0.85 DKK1 (0.69) DKK1PIK3CAPIK3CDPIK3R1PIK3CB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190824-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM Wyeth a Corporation of the State of Delaware (US) 2010-06-02 EP claimed
WO-2009026319-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 WO claimed
WO-2009026326-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 WO claimed
EP-2190824-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM Wyeth a Corporation of the State of Delaware (US) 2010-06-02 EP disclosed
WO-2009026326-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 WO disclosed
WO-2009026319-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 WO disclosed