SCHEMBL30086288

SCHEMBL30086288

CNC(=O)c1ccccc1Nc1nc(Nc2cccc(OC(F)F)c2)ncc1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 3/20 0.58
▸ PKMYT1 Q99640 1/20 0.54
▸ ALK Q9UM73 3/20 0.53
▸ MET P08581 1/20 0.53
▸ TAS2R14 Q9NYV8 1/20 0.52
▸ ULK1 O75385 5/20 0.51
▸ CDC7 O00311 1/20 0.49
▸ DAPK3 O43293 1/20 0.49
▸ JAK2 O60674 1/20 0.49
▸ ROCK2 O75116 1/20 0.49
▸ PRKD3 O94806 1/20 0.49
▸ MAP4K4 O95819 1/20 0.49
▸ PAK4 O96013 1/20 0.49
▸ PIM1 P11309 1/20 0.49
▸ PRKACA P17612 1/20 0.49
▸ CDK2 P24941 1/20 0.49
▸ SYK P43405 1/20 0.49
▸ CSNK1A1 P48729 1/20 0.49
▸ CDK8 P49336 1/20 0.49
▸ CLK2 P49760 1/20 0.49

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
SCHEMBL23754901 1.00 MAPK8 (0.58) MAPK8PKMYT1ALKMETTAS2R14
SCHEMBL23754819 0.91 MAPK8 (0.59) MAPK8PKMYT1ULK1PTK2EGFR
SCHEMBL30086254 0.91 MAPK8 (0.59) MAPK8PKMYT1ULK1PTK2EGFR
SCHEMBL23754918 0.90 MAPK8 (0.57) MAPK8PKMYT1ALKMETULK1
SCHEMBL30086216 0.90 MAPK8 (0.57) MAPK8PKMYT1ALKMETULK1
SCHEMBL23764855 0.90 MAPK8 (0.61) MAPK8PKMYT1ALKMETULK1
SCHEMBL30086370 0.90 MAPK8 (0.61) MAPK8PKMYT1ALKMETULK1
SCHEMBL30086246 0.84 ULK1 (0.59) MAPK8PKMYT1ALKULK1CDC7
SCHEMBL23754825 0.84 ULK1 (0.59) MAPK8PKMYT1ALKULK1CDC7
SCHEMBL1039207 0.83 GLO1 (0.55) MAPK8ALKMETULK1CDK2

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
CN-115515589-A ULK1/2 inhibitors and methods of use thereof 萨克生物研究学院 2022-12-23 — — CN disclosed
EP-4103182-A1 INHIBITORS OF ULK1/2 AND METHODS OF USING SAME Salk Institute for Biological Studies (US) 2022-12-21 — — EP disclosed
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