SCHEMBL7978487

SCHEMBL7978487

COc1ccccc1CCN(CCCCN)c1nc(-c2ccncc2)cc(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.48
LMNA P02545 1/20 0.39
PTPN7 P35236 1/20 0.39
DUSP3 P51452 1/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
ACHE P22303 1/20 0.38
CDC7 O00311 1/20 0.37
DBF4 Q9UBU7 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
AOC3 Q16853 1/20 0.37
HCAR2 Q8TDS4 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
SCHEMBL7992651 0.86 LMNA (0.46) GSK3BLMNAPTPN7DUSP3ROCK2
SCHEMBL7993214 0.85 GSK3B (0.48) GSK3BLMNAPTPN7DUSP3ROCK2
SCHEMBL7996126 0.84 GSK3B (0.63) GSK3BCDC7
SCHEMBL7990574 0.83 LMNA (0.42) GSK3BLMNAPTPN7DUSP3ROCK2
SCHEMBL7978702 0.82 GSK3B (0.59) GSK3B
SCHEMBL5379886 0.72 GSK3B (0.58) GSK3BROCK2ROCK1CDC7DBF4
SCHEMBL7990818 0.71 GSK3B (0.50) GSK3BROCK2ROCK1
SCHEMBL5386895 0.69 GSK3B (0.59) GSK3BROCK2ROCK1CDC7DBF4
SCHEMBL7391761 0.69 GSK3B (0.57) GSK3BLMNAPTPN7DUSP3ROCK2
SCHEMBL7992592 0.68 GSK3B (0.56) GSK3BCDC7DBF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001070727-A1 2-(ARYLALKYLAMINO)PYRIMIDONE DERIVATIVES AND 2-(HETEROARYLALKYLAMINO)PYRIMIDONE DERIVATIVES SANOFI-SYNTHELABO (FR) 2001-09-27 WO claimed