SCHEMBL211405

SCHEMBL211405

COC(=O)CCC[C@@H](COC(=O)Nc1cc2ccccc2cn1)N(NCc1cccc(Cl)c1Cl)C(C)=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.35
NOTUM Q6P988 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
ABL1 P00519 4/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
JAK2 O60674 1/20 0.30
TYK2 P29597 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL211462 0.95 CTSK (0.36) CTSKNOTUMPPARGPPARAABL1
SCHEMBL214202 0.93 CTSK (0.36) CTSKNOTUMABL1MEN1KMT2A
SCHEMBL211861 0.93 CTSK (0.34) CTSKNOTUMPPARGPPARAABL1
SCHEMBL210546 0.93 CTSK (0.34) CTSKNOTUMPPARGPPARAABL1
SCHEMBL212116 0.90 CTSK (0.36) CTSKNOTUMABL1KDM4EALDH1A1
SCHEMBL212782 0.88 CTSK (0.34) CTSKNOTUMPPARGPPARAABL1
SCHEMBL211083 0.88 CTSK (0.35) CTSKNOTUMPPARGPPARAABL1
SCHEMBL209966 0.88 CTSK (0.34) CTSKNOTUMABL1KDM4EALDH1A1
SCHEMBL211133 0.88 CTSK (0.35) CTSKNOTUMPPARGPPARAABL1
SCHEMBL212341 0.88 CTSK (0.37) CTSKNOTUMABL1KDM4EALDH1A1

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