SCHEMBL14918679

SCHEMBL14918679

FC(F)(F)c1nc(-c2cnc(CNc3nccc(-c4ccc(CN5CCOCC5)cc4)n3)nc2)no1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 17/20 0.56
HDAC4 P56524 9/20 0.56
HDAC1 Q13547 13/20 0.51
HDAC8 Q9BY41 8/20 0.51
JAK2 O60674 2/20 0.47
JAK3 P52333 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43

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
SCHEMBL14918623 0.91 HDAC6 (0.65) HDAC6HDAC4HDAC1HDAC8JAK2
SCHEMBL14918064 0.91 HDAC6 (0.56) HDAC6HDAC4HDAC1HDAC8
SCHEMBL14918140 0.87 HDAC6 (0.50) HDAC6HDAC4HDAC1HDAC8HDAC3
SCHEMBL14917879 0.85 HDAC1 (0.50) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL14918011 0.83 HDAC4 (0.55) HDAC6HDAC4HDAC1HDAC8HDAC3
SCHEMBL14917911 0.81 HDAC1 (0.53) HDAC6HDAC4HDAC1HDAC8HDAC3
SCHEMBL14918077 0.80 HDAC6 (0.58) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL14918575 0.80 HDAC1 (0.59) HDAC6HDAC4HDAC1HDAC8HDAC3
SCHEMBL21407358 0.79 HDAC6 (0.75) HDAC6HDAC4HDAC1HDAC8HDAC3
SCHEMBL14918405 0.78 HDAC8 (0.49) HDAC6HDAC4HDAC1HDAC8HDAC3

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
WO-2013066839-A2 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 WO claimed
WO-2013066839-A2 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 WO disclosed