SCHEMBL1447348

SCHEMBL1447348

CN(C)C(=O)Oc1cccc(NC(=O)C2(Cc3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)CCN(C(=O)O)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LIMK2 P53671 16/20 0.49
LIMK1 P53667 9/20 0.49
ROCK1 Q13464 3/20 0.49
ROCK2 O75116 2/20 0.49
PRKACA P17612 1/20 0.48
PRKACG P22612 1/20 0.48
PRKACB P22694 1/20 0.48
SIRT2 Q8IXJ6 3/20 0.40

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
SCHEMBL4296922 0.92 LIMK2 (0.46) LIMK2LIMK1ROCK1ROCK2PRKACA
SCHEMBL1446502 0.78 LIMK2 (0.54) LIMK2LIMK1ROCK1ROCK2PRKACA
SCHEMBL1446740 0.76 LIMK2 (0.59) LIMK2LIMK1ROCK1ROCK2PRKACA
SCHEMBL1447058 0.76 LIMK2 (0.51) LIMK2LIMK1ROCK1ROCK2PRKACA
SCHEMBL1446658 0.74 LIMK2 (0.46) LIMK2LIMK1ROCK1ROCK2PRKACA
SCHEMBL1446726 0.74 LIMK2 (0.46) LIMK2LIMK1ROCK1ROCK2PRKACA
SCHEMBL1446917 0.70 LIMK2 (0.48) LIMK2LIMK1ROCK1ROCK2PRKACA
SCHEMBL1448863 0.70 LIMK2 (0.51) LIMK2LIMK1ROCK1ROCK2PRKACA
SCHEMBL1446947 0.70 LIMK2 (0.44) LIMK2LIMK1ROCK1ROCK2PRKACA
SCHEMBL4301992 0.70 LIMK2 (0.84) LIMK2LIMK1ROCK1ROCK2PRKACA

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
EP-2297153-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2011-03-23 EP disclosed
WO-2009131940-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2009-10-29 WO disclosed