SCHEMBL29499591

SCHEMBL29499591

Nc1ccc(Oc2ccnc(NC3CCOCC3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 9/20 0.49
▸ PLK4 O00444 3/20 0.48
▸ HRH4 Q9H3N8 1/20 0.47
▸ MKNK1 Q9BUB5 2/20 0.43
▸ MKNK2 Q9HBH9 1/20 0.43
▸ RET P07949 1/20 0.42
▸ MAPK14 Q16539 2/20 0.41
▸ PIK3C3 Q8NEB9 1/20 0.40
▸ CCNA2 P20248 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ MAPK3 P27361 2/20 0.39
▸ MAPK10 P53779 1/20 0.39

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
SCHEMBL28941129 1.00 MAPK1 (0.49) MAPK1PLK4HRH4MKNK1MKNK2
SCHEMBL28744880 0.85 MAPK1 (0.47) MAPK1PLK4HRH4MKNK1MKNK2
SCHEMBL28744909 0.78 MAPK1 (0.50) MAPK1PLK4MAPK14MAPK3
SCHEMBL29499586 0.78 MAPK1 (0.50) MAPK1PLK4MAPK14MAPK3
SCHEMBL29499563 0.77 MAPK1 (0.49) MAPK1PLK4MAPK14MAPK3MAPK10
SCHEMBL28744833 0.77 MAPK1 (0.49) MAPK1PLK4MAPK14MAPK3MAPK10
SCHEMBL29499574 0.77 MAPK14 (0.43) MAPK1PLK4HRH4MAPK14MAPK10
SCHEMBL28744849 0.77 MAPK14 (0.43) MAPK1PLK4HRH4MAPK14MAPK10
SCHEMBL10188247 0.77 MAPK1 (0.62) MAPK1PLK4HRH4MKNK1MKNK2
SCHEMBL28744859 0.75 ULK1 (0.48) MAPK1MAPK14CDK2MAPK3

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
Send feedback