SCHEMBL210974

SCHEMBL210974

O=C(Nc1cc2cc(F)ccc2cn1)OCCCCCCOS(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 14/20 0.40
GSK3B P49841 5/20 0.38
DYRK1A Q13627 5/20 0.38
WNT1 P04628 1/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38

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
SCHEMBL213815 0.84 ABL1 (0.41) ABL1GSK3BDYRK1A
SCHEMBL212066 0.83 ABL1 (0.40) ABL1GSK3BDYRK1AWNT1CLK2
SCHEMBL211864 0.83 ABL1 (0.40) ABL1GSK3BDYRK1AWNT1CLK2
SCHEMBL213151 0.81 ABL1 (0.42) ABL1GSK3BDYRK1AWNT1CLK2
SCHEMBL2724147 0.75 ABL1 (0.31) ABL1
SCHEMBL213675 0.71 NOTUM (0.49) ABL1
SCHEMBL2842110 0.71 ABL1 (0.52) ABL1GSK3BDYRK1A
SCHEMBL213605 0.71 KDM4E (0.46)
SCHEMBL13942995 0.70 ABL1 (0.40) ABL1GSK3BDYRK1AWNT1CLK2
SCHEMBL213835 0.69 KDM4E (0.47)

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