SCHEMBL25776987

SCHEMBL25776987

O=C(N[C@@H](C1CC1)C(F)(F)F)c1cc(-c2cnn3cc(Nc4ccccc4)cnc23)cs1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 2/20 0.74
▸ ULK2 Q8IYT8 2/20 0.74
▸ MKNK2 Q9HBH9 1/20 0.74
▸ STK17A Q9UEE5 1/20 0.74
▸ MARK3 P27448 17/20 0.52
▸ SGK1 O00141 2/20 0.47
▸ PIK3CD O00329 2/20 0.47
▸ CHEK1 O14757 2/20 0.47
▸ MAPK13 O15264 2/20 0.47
▸ PDPK1 O15530 2/20 0.47
▸ NUAK1 O60285 2/20 0.47
▸ CCNT1 O60563 2/20 0.47
▸ JAK2 O60674 2/20 0.47
▸ ROCK2 O75116 2/20 0.47
▸ CHEK2 O96017 2/20 0.47
▸ EGFR P00533 2/20 0.47
▸ RAF1 P04049 2/20 0.47
▸ NTRK1 P04629 2/20 0.47
▸ LCK P06239 2/20 0.47
▸ CSF1R P07333 2/20 0.47

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
SCHEMBL25776984 0.94 ULK1 (0.82) ULK1ULK2MKNK2STK17AMARK3
SCHEMBL25776990 0.90 ULK1 (0.72) ULK1ULK2MKNK2STK17AMARK3
SCHEMBL25776980 0.85 MARK3 (0.62) ULK1ULK2MKNK2STK17AMARK3
SCHEMBL25395801 0.85 ULK1 (1.00) ULK1ULK2MKNK2STK17AMARK3
SCHEMBL25395807 0.85 ULK1 (1.00) ULK1ULK2MKNK2STK17AMARK3
SCHEMBL25423731 0.81 MARK3 (0.51) ULK1ULK2MKNK2STK17AMARK3
SCHEMBL25777788 0.81 ULK1 (0.69) ULK1ULK2MKNK2STK17AMARK3
SCHEMBL25776988 0.80 ULK1 (0.69) ULK1ULK2MKNK2STK17AMARK3
SCHEMBL25776985 0.77 MARK3 (0.57) ULK1ULK2MKNK2STK17AMARK3
SCHEMBL3811081 0.73 MARK3 (0.67) ULK1ULK2MKNK2STK17AMARK3

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
WO-2023122756-A2 ULK1 AND ULK2 INHIBITORS BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2023-06-29 — — WO disclosed
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