SCHEMBL212782

SCHEMBL212782

COC(=O)CCC[C@@H](COC(=O)Nc1cc2ccccc2cn1)N(NCc1ccc(F)cc1Cl)C(C)=O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.34
NOTUM Q6P988 1/20 0.33
ABL1 P00519 4/20 0.33
MDM2 Q00987 3/20 0.33
P2RX7 Q99572 4/20 0.33
BRD4 O60885 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
POLB P06746 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
SCHEMBL211892 0.93 CTSK (0.35) CTSKNOTUMABL1P2RX7BRD4
SCHEMBL211462 0.92 CTSK (0.36) CTSKNOTUMABL1HTTALDH1A1
SCHEMBL211861 0.90 CTSK (0.34) CTSKNOTUMABL1PPARGPPARA
SCHEMBL210546 0.88 CTSK (0.34) CTSKNOTUMABL1L3MBTL1ALDH1A1
SCHEMBL211405 0.88 CTSK (0.35) CTSKNOTUMABL1ALDH1A1PPARG
SCHEMBL212116 0.87 CTSK (0.36) CTSKNOTUMABL1HTTALDH1A1
SCHEMBL210556 0.87 CTSK (0.36) CTSKNOTUMP2RX7BRD4HTT
SCHEMBL210557 0.87 CTSK (0.36) CTSKNOTUMP2RX7BRD4HTT
SCHEMBL211133 0.87 CTSK (0.35) CTSKNOTUMABL1ALDH1A1PPARG
SCHEMBL211083 0.87 CTSK (0.35) CTSKNOTUMABL1ALDH1A1PPARG

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