SCHEMBL213596

SCHEMBL213596

CC(C)N1CCN(C(=O)CCC(COC(=O)Nc2cc3ccccc3cn2)N(C)C(=O)NCc2cccc(F)c2Cl)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.34
GSK3B P49841 3/20 0.34
DYRK1A Q13627 3/20 0.34
CTSK P43235 1/20 0.33
MC4R P32245 2/20 0.33
MC5R P33032 1/20 0.33
MC3R P41968 1/20 0.33
MC1R Q01726 1/20 0.33
BTK Q06187 3/20 0.33
NTRK1 P04629 1/20 0.32
WNT1 P04628 1/20 0.31
ITGB3 P05106 2/20 0.31
ITGAV P06756 2/20 0.31
HRH3 Q9Y5N1 2/20 0.31
CCNK O75909 2/20 0.31
CCNA2 P20248 2/20 0.31
CDK2 P24941 2/20 0.31
CDK7 P50613 2/20 0.31
CCNH P51946 2/20 0.31
MNAT1 P51948 2/20 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
SCHEMBL213594 1.00 BDKRB1 (0.34) BDKRB1GSK3BDYRK1ACTSKMC4R
SCHEMBL213595 1.00 BDKRB1 (0.34) BDKRB1GSK3BDYRK1ACTSKMC4R
SCHEMBL4354883 0.93 CTSK (0.32) CTSKMC4RMC5RMC3RMC1R
SCHEMBL2728456 0.93 CCKBR (0.33) BDKRB1GSK3BDYRK1ACTSKMC4R
SCHEMBL211617 0.92 BDKRB1 (0.35) BDKRB1GSK3BDYRK1ACTSKWNT1
SCHEMBL213082 0.92 BDKRB1 (0.33) BDKRB1GSK3BDYRK1ACTSKMC4R
SCHEMBL212336 0.92 SYK (0.33) BDKRB1GSK3BDYRK1ACTSKITGB3
SCHEMBL212335 0.92 SYK (0.33) BDKRB1GSK3BDYRK1ACTSKITGB3
SCHEMBL212334 0.92 SYK (0.33) BDKRB1GSK3BDYRK1ACTSKITGB3
SCHEMBL2724797 0.91 EED (0.32) BDKRB1GSK3BDYRK1ACTSKBTK

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 1 patent. 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 disclosed