SCHEMBL211861

SCHEMBL211861

COC(=O)CCC[C@@H](COC(=O)Nc1cc2ccccc2cn1)N(NCc1cccc(Cl)c1F)C(C)=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.34
NOTUM Q6P988 1/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
EGFR P00533 3/20 0.31
CFD P00746 2/20 0.31
ABL1 P00519 2/20 0.31
CD38 P28907 1/20 0.30

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
SCHEMBL213670 0.93 CTSK (0.35) CTSKNOTUMEGFRABL1CD38
SCHEMBL211462 0.93 CTSK (0.36) CTSKNOTUMPPARGPPARAABL1
SCHEMBL211405 0.93 CTSK (0.35) CTSKNOTUMPPARGPPARAABL1
SCHEMBL211083 0.93 CTSK (0.35) CTSKNOTUMPPARGPPARAABL1
SCHEMBL211133 0.93 CTSK (0.35) CTSKNOTUMPPARGPPARAABL1
SCHEMBL210546 0.91 CTSK (0.34) CTSKNOTUMPPARGPPARAABL1
SCHEMBL212782 0.90 CTSK (0.34) CTSKNOTUMPPARGPPARAABL1
SCHEMBL212116 0.89 CTSK (0.36) CTSKNOTUMABL1
SCHEMBL211156 0.88 CTSK (0.34) CTSKNOTUMABL1
SCHEMBL2723943 0.87 CTSK (0.36) CTSKNOTUMCFDABL1

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