SCHEMBL213515

SCHEMBL213515

CC(=O)N(NCc1ccccc1Cl)[C@@H](CCC(=O)O)COC(=O)Nc1cc2ccccc2cn1.CC(=O)N(NCc1ccccc1Cl)[C@H](C)COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.36
GCG P01275 1/20 0.33
NOTUM Q6P988 1/20 0.33
ABL1 P00519 4/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PTGER1 P34995 1/20 0.32
MAPT P10636 1/20 0.32
DYRK1A Q13627 1/20 0.32
NPC1 O15118 1/20 0.32
FOLH1 Q04609 1/20 0.31
ALOX5AP P20292 2/20 0.31
MAPKAPK2 P49137 1/20 0.31
ALOX5 P09917 1/20 0.31
LTC4S Q16873 1/20 0.31
LMNA P02545 1/20 0.31
GCK P35557 1/20 0.31

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
SCHEMBL212590 0.96 CTSK (0.36) CTSKGCGNOTUMABL1ALDH1A1
SCHEMBL212341 0.92 CTSK (0.37) CTSKGCGNOTUMABL1ALDH1A1
SCHEMBL212116 0.89 CTSK (0.36) CTSKNOTUMABL1ALDH1A1KDM4E
SCHEMBL210644 0.88 NOTUM (0.36) CTSKNOTUMABL1ALDH1A1KDM4E
SCHEMBL213116 0.87 CCKBR (0.37) CTSKNOTUMALDH1A1PTGER1DYRK1A
SCHEMBL214202 0.86 CTSK (0.36) CTSKGCGNOTUMABL1ALDH1A1
SCHEMBL210223 0.86 CTSK (0.34) CTSKGCGNOTUMABL1ALDH1A1
SCHEMBL211462 0.86 CTSK (0.36) CTSKNOTUMABL1ALDH1A1KDM4E
SCHEMBL4353508 0.86 CTSK (0.37) CTSKNOTUMABL1ALDH1A1MAPT
SCHEMBL213670 0.85 CTSK (0.35) CTSKGCGNOTUMABL1ALDH1A1

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-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed