SCHEMBL22384455

SCHEMBL22384455

C[C@H](CO)NC(=O)[C@H](Cc1ccc(-c2ncc(/C=C/c3ccc(Cl)cc3)cn2)cc1)NC(=O)c1ccc(C(C)(C)C)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.37
PPARG P37231 2/20 0.34
GABRA5 P31644 4/20 0.34
WDR5 P61964 2/20 0.34
KMT2A Q03164 2/20 0.34
NOS2 P35228 2/20 0.33
KCNA3 P22001 1/20 0.33
ROCK2 O75116 1/20 0.33
PRKACA P17612 1/20 0.33
RPS6KB1 P23443 1/20 0.33
IRAK1 P51617 1/20 0.33
PRKX P51817 1/20 0.33
LIMK1 P53667 1/20 0.33
PRKG2 Q13237 1/20 0.33
ROCK1 Q13464 1/20 0.33
PRKG1 Q13976 1/20 0.33
PKN2 Q16513 1/20 0.33
HIPK4 Q8NE63 1/20 0.33
AURKB Q96GD4 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33

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
SCHEMBL17834762 0.91 CDK2 (0.38) CDK2PPARGNOS2CTSLEED
SCHEMBL17834890 0.83 MME (0.37) EEDKLKB1
SCHEMBL16305891 0.83 MME (0.37) EEDKLKB1
SCHEMBL16305890 0.83 MME (0.37) PPARGEEDKLKB1
SCHEMBL16306239 0.83 MME (0.42) EEDKLKB1
SCHEMBL17834725 0.83 NPC1 (0.39) NOS2CTSLEED
SCHEMBL16306249 0.82 MME (0.41) WDR5KMT2AKLKB1KLK1
SCHEMBL22756211 0.82 WDR5 (0.37) WDR5KMT2AROCK2PRKACARPS6KB1
SCHEMBL17834893 0.82 MME (0.41) WDR5KMT2AKLKB1KLK1
SCHEMBL17834539 0.81 MME (0.36) EEDKLKB1

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
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 EP disclosed