SCHEMBL3645336

SCHEMBL3645336

c1ccc2cc(-c3ccnc(N4CCC(N5CCCC5)C4)n3)ccc2c1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DKK1 O94907 3/20 0.66
HRH3 Q9Y5N1 2/20 0.42
FAAH O00519 5/20 0.41
RAD52 P43351 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
JAK3 P52333 1/20 0.40
PIK3CA P42336 1/20 0.39
MBTD1 Q05BQ5 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GSK3B P49841 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
SCHEMBL4538908 1.00 DKK1 (0.66) DKK1HRH3FAAHRAD52JAK2
SCHEMBL4540878 1.00 DKK1 (0.66) DKK1HRH3FAAHRAD52JAK2
SCHEMBL3645495 0.99 DKK1 (0.65) DKK1HRH3FAAHRAD52JAK2
SCHEMBL4540992 0.99 DKK1 (0.65) DKK1HRH3FAAHRAD52JAK2
SCHEMBL4535167 0.99 DKK1 (0.65) DKK1HRH3FAAHRAD52JAK2
SCHEMBL3645499 0.99 DKK1 (0.65) DKK1HRH3FAAHRAD52JAK2
SCHEMBL3652034 0.99 DKK1 (0.65) DKK1HRH3FAAHRAD52JAK2
SCHEMBL4537787 0.95 DKK1 (0.60) DKK1HRH3FAAHRAD52
SCHEMBL3648064 0.91 DKK1 (0.64) DKK1FAAHPIK3CAGSK3B
SCHEMBL4532479 0.91 DKK1 (0.64) DKK1FAAHPIK3CAGSK3B

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 3 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 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