SCHEMBL17544688

SCHEMBL17544688

FC(F)(F)c1cnc(Cl)nc1NC1CC1.FC(F)(F)c1cnc(Nc2ccc(Nc3ncc(C(F)(F)F)c(NC4CC4)n3)cc2)nc1NC1CC1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 17/20 0.76
ULK2 Q8IYT8 5/20 0.76
KIT P10721 3/20 0.64
FLT3 P36888 3/20 0.64

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
SCHEMBL17545176 0.92 ULK1 (0.88) ULK1ULK2KITFLT3
SCHEMBL1935005 0.87 ULK1 (0.61) ULK1ULK2
SCHEMBL17544373 0.86 ULK1 (1.00) ULK1ULK2KITFLT3
SCHEMBL19661046 0.85 ULK1 (0.76) ULK1ULK2KITFLT3
SCHEMBL26506688 0.83 ULK1 (0.77) ULK1ULK2KITFLT3
SCHEMBL1430502 0.82 ULK1 (0.71) ULK1ULK2
SCHEMBL30860794 0.82 ULK1 (0.67) ULK1ULK2
SCHEMBL1916896 0.81 FLT3 (0.67) ULK1ULK2KITFLT3
SCHEMBL1917078 0.81 FLT3 (0.67) ULK1ULK2KITFLT3
SCHEMBL1916411 0.81 FLT3 (0.67) ULK1ULK2KITFLT3

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
EP-3185868-A1 NOVEL ULK1 INHIBITORS AND METHODS USING SAME Salk Institute for Biological Studies (US) 2017-07-05 EP disclosed
WO-2016033100-A1 NOVEL ULK1 INHIBITORS AND METHODS USING SAME SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2016-03-03 WO disclosed