SCHEMBL213151

SCHEMBL213151

COP(=O)(OC)OCCCCCCOC(=O)Nc1cc2cc(F)ccc2cn1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 12/20 0.42
MAP4K1 Q92918 1/20 0.38
GSK3B P49841 6/20 0.38
DYRK1A Q13627 6/20 0.38
WNT1 P04628 2/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
NOTUM Q6P988 1/20 0.37

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
SCHEMBL211864 0.89 ABL1 (0.40) ABL1MAP4K1GSK3BDYRK1AWNT1
SCHEMBL212066 0.89 ABL1 (0.40) ABL1MAP4K1GSK3BDYRK1AWNT1
SCHEMBL214063 0.88 NOTUM (0.47) ABL1MAP4K1NOTUM
SCHEMBL213815 0.81 ABL1 (0.41) ABL1MAP4K1GSK3BDYRK1A
SCHEMBL210974 0.81 ABL1 (0.40) ABL1GSK3BDYRK1AWNT1CLK2
SCHEMBL213578 0.77 NOTUM (0.44) ABL1MAP4K1GSK3BDYRK1ANOTUM
SCHEMBL212501 0.76 ABL1 (0.31) ABL1
SCHEMBL212502 0.76 ABL1 (0.32) ABL1
SCHEMBL213202 0.76 NOTUM (0.46) ABL1NOTUM
SCHEMBL212870 0.76 NOTUM (0.46) ABL1NOTUM

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