SCHEMBL28744859

SCHEMBL28744859

Nc1ccc(Oc2nc(NC3CCOCC3)ncc2C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 3/20 0.48
▸ ULK2 Q8IYT8 1/20 0.48
▸ MAPK1 P28482 3/20 0.45
▸ MAPK3 P27361 1/20 0.45
▸ PTK2 Q05397 9/20 0.44
▸ MAPK14 Q16539 2/20 0.43
▸ CDK1 P06493 2/20 0.41
▸ CCNB1 P14635 1/20 0.41
▸ CCNE1 P24864 1/20 0.41
▸ CDK2 P24941 1/20 0.41

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
SCHEMBL29499565 1.00 ULK1 (0.48) ULK1ULK2MAPK1MAPK3PTK2
SCHEMBL28744828 0.87 MAPK1 (0.48) ULK1MAPK1MAPK3PTK2MAPK14
SCHEMBL28744909 0.84 MAPK1 (0.50) MAPK1MAPK3MAPK14
SCHEMBL29499586 0.84 MAPK1 (0.50) MAPK1MAPK3MAPK14
SCHEMBL28744833 0.83 MAPK1 (0.49) MAPK1MAPK3MAPK14
SCHEMBL29499563 0.83 MAPK1 (0.49) MAPK1MAPK3MAPK14
SCHEMBL29499574 0.83 MAPK14 (0.43) MAPK1MAPK14
SCHEMBL28744849 0.83 MAPK14 (0.43) MAPK1MAPK14
SCHEMBL28744911 0.78 PLK4 (0.48) ULK1ULK2MAPK1MAPK3PTK2
SCHEMBL29499597 0.78 PLK4 (0.48) ULK1ULK2MAPK1MAPK3PTK2

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-114276331-B 4-aminopiperidine compound and preparation method, pharmaceutical composition and application thereof 中国药科大学 2023-05-23 — — CN disclosed
CN-114276331-A 4-aminopiperidine compound and preparation method, pharmaceutical composition and application thereof 中国药科大学 2022-04-05 — — CN disclosed
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