SCHEMBL2107035

SCHEMBL2107035

CN(C)C(=O)C(Cc1ccc(F)cc1)NC(=O)c1cc2cc(C#N)ncc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PYGL P06737 14/20 0.64
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
PYGM P11217 1/20 0.44
CYP51A1 Q16850 1/20 0.44
ALB P02768 2/20 0.44
IL2 P60568 2/20 0.44
GPER1 Q99527 1/20 0.43

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
SCHEMBL2606908 1.00 PYGL (0.64) PYGLROCK2ROCK1PYGMCYP51A1
SCHEMBL2108999 0.91 PYGL (0.68) PYGL
SCHEMBL2107381 0.89 ALB (0.55) PYGLPYGMCYP51A1ALBIL2
SCHEMBL2107378 0.89 ALB (0.55) PYGLPYGMCYP51A1ALBIL2
SCHEMBL13271657 0.87 PYGL (0.66) PYGLROCK2ROCK1PYGMCYP51A1
SCHEMBL2606884 0.87 PYGL (0.66) PYGLROCK2ROCK1PYGMCYP51A1
SCHEMBL2106641 0.86 PYGL (0.47) PYGLPYGMCYP51A1ALBIL2
SCHEMBL2106640 0.86 PYGL (0.47) PYGLPYGMCYP51A1ALBIL2
SCHEMBL2606942 0.83 CYP51A1 (0.56) PYGLPYGMCYP51A1ALBIL2
SCHEMBL2109000 0.83 PYGL (0.67) PYGL

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
US-8158622-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2012-04-17 US disclosed