SCHEMBL210546

SCHEMBL210546

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.34
P2RX4 Q99571 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
NOTUM Q6P988 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
ABL1 P00519 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
SCHEMBL209966 0.96 CTSK (0.34) CTSKP2RX4TDP1NOTUMALDH1A1
SCHEMBL213060 0.93 CTSK (0.35) CTSKP2RX4TDP1NOTUMALDH1A1
SCHEMBL250635 0.93 P2RX4 (0.32) P2RX4TDP1
SCHEMBL250122 0.93 P2RX4 (0.32) P2RX4TDP1
SCHEMBL211133 0.93 CTSK (0.35) CTSKNOTUMALDH1A1PPARGPPARA
SCHEMBL211083 0.93 CTSK (0.35) CTSKNOTUMALDH1A1PPARGPPARA
SCHEMBL211405 0.93 CTSK (0.35) CTSKNOTUMALDH1A1PPARGPPARA
SCHEMBL211861 0.91 CTSK (0.34) CTSKNOTUMPPARGPPARAABL1
SCHEMBL212607 0.91 CTSK (0.35) CTSKP2RX4TDP1NOTUMALDH1A1
SCHEMBL210223 0.90 CTSK (0.34) CTSKP2RX4TDP1NOTUMALDH1A1

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