SCHEMBL29900883

SCHEMBL29900883

CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 4/20 1.00
▸ ZAP70 P43403 6/20 0.71
▸ ALK Q9UM73 6/20 0.70
▸ EGFR P00533 4/20 0.70
▸ IGF1R P08069 3/20 0.70
▸ GSK3A P49840 2/20 0.70
▸ CDC7 O00311 2/20 0.70
▸ PLK4 O00444 2/20 0.70
▸ CHEK1 O14757 2/20 0.70
▸ AURKA O14965 2/20 0.70
▸ DCLK1 O15075 2/20 0.70
▸ PDPK1 O15530 2/20 0.70
▸ DAPK3 O43293 2/20 0.70
▸ JAK2 O60674 2/20 0.70
▸ PRKD3 O94806 2/20 0.70
▸ PAK4 O96013 2/20 0.70
▸ CHEK2 O96017 2/20 0.70
▸ ERBB2 P04626 2/20 0.70
▸ PRKCG P05129 2/20 0.70
▸ LCK P06239 2/20 0.70

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
SCHEMBL375608 1.00 ULK1 (1.00) ULK1ZAP70ALKEGFRIGF1R
SCHEMBL380944 0.94 ULK1 (0.88) ULK1ZAP70ALKEGFRIGF1R
SCHEMBL12781486 0.92 ULK1 (0.85) ULK1ZAP70ALKEGFRIGF1R
SCHEMBL12892788 0.92 ULK1 (0.84) ULK1ZAP70ALKEGFRIGF1R
SCHEMBL12780549 0.92 ULK1 (0.84) ULK1ZAP70ALKEGFRIGF1R
SCHEMBL282266 0.91 ULK1 (0.84) ULK1ZAP70ALKEGFRIGF1R
SCHEMBL12780145 0.91 ZAP70 (0.85) ULK1ZAP70ALKEGFRIGF1R
SCHEMBL12892784 0.91 ULK1 (0.83) ULK1ZAP70ALKEGFRIGF1R
SCHEMBL375362 0.91 ULK1 (0.83) ULK1ZAP70ALKEGFRIGF1R
SCHEMBL12892894 0.91 ULK1 (0.83) ULK1ZAP70ALKEGFRIGF1R

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
EP-4070795-A1 NOVEL ULK1 INHIBITORS AND METHODS USING SAME Salk Institute for Biological Studies (US) 2022-10-12 — — EP disclosed
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