SCHEMBL211133

SCHEMBL211133

COC(=O)CCC[C@@H](COC(=O)Nc1cc2ccccc2cn1)N(NCc1cccc(F)c1F)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 1/20 0.31
PKM P14618 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
PIN1 Q13526 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
SCHEMBL211083 1.00 CTSK (0.35) CTSKNOTUMPPARGPPARAABL1
SCHEMBL211156 0.95 CTSK (0.34) CTSKNOTUMABL1PKMMAPK1
SCHEMBL211648 0.94 ABL1 (0.33) ABL1
SCHEMBL214678 0.93 CTSK (0.36) CTSKNOTUMABL1PIN1KDM4E
SCHEMBL212192 0.93 CTSK (0.36) CTSKNOTUMABL1PIN1KDM4E
SCHEMBL211861 0.93 CTSK (0.34) CTSKNOTUMPPARGPPARAABL1
SCHEMBL210546 0.93 CTSK (0.34) CTSKNOTUMPPARGPPARAABL1
SCHEMBL215415 0.91 CTSK (0.36) CTSKNOTUMABL1PIN1ALDH1A1
SCHEMBL4346238 0.91 CTSK (0.36) CTSKNOTUMABL1PIN1ALDH1A1
SCHEMBL210485 0.90 CTSK (0.36) CTSKNOTUMABL1PKMMAPK1

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