SCHEMBL17544940

SCHEMBL17544940

CNC(=O)c1ccccc1Nc1nc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)ncc1C(F)(F)F.FC(F)(F)c1cnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)nc1Cl

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 2/20 0.76
PTK2 Q05397 7/20 0.69
PKMYT1 Q99640 2/20 0.67
INSR P06213 2/20 0.67
IGF1R P08069 2/20 0.67
PTK2B Q14289 2/20 0.67
SLC2A1 P11166 1/20 0.66
FGFR1 P11362 6/20 0.62
MAPK9 P45984 4/20 0.60
MAPK10 P53779 4/20 0.60
EGFR P00533 2/20 0.58
MAPK8 P45983 2/20 0.58
CDC7 O00311 1/20 0.58
PLK4 O00444 1/20 0.58
CHEK1 O14757 1/20 0.58
AURKA O14965 1/20 0.58
DCLK1 O15075 1/20 0.58
PDPK1 O15530 1/20 0.58
DAPK3 O43293 1/20 0.58
DYRK3 O43781 1/20 0.58

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
SCHEMBL19639636 0.95 ULK1 (0.77) ULK1PTK2PKMYT1INSRIGF1R
SCHEMBL17547489 0.86 ULK1 (1.00) ULK1PTK2PKMYT1INSRIGF1R
SCHEMBL19654233 0.84 ULK1 (0.82) ULK1PTK2PKMYT1INSRIGF1R
SCHEMBL19639608 0.83 ULK1 (0.81) ULK1PTK2PKMYT1INSRIGF1R
SCHEMBL17547516 0.82 PTK2 (1.00) ULK1PTK2PKMYT1INSRIGF1R
SCHEMBL31174582 0.81 PTK2 (0.68) ULK1PTK2PKMYT1INSRIGF1R
SCHEMBL19639648 0.81 SYK (0.51) ULK1PKMYT1FGFR1JAK2CDK2
SCHEMBL31174594 0.80 PTK2 (0.69) ULK1PTK2PKMYT1INSRIGF1R
SCHEMBL2035845 0.79 ULK1 (0.60) ULK1PTK2PTK2BMAPK9MAPK10
SCHEMBL23764766 0.77 MAPK9 (0.66) ULK1PTK2PKMYT1INSRIGF1R

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