SCHEMBL28852689

SCHEMBL28852689

CC(C)(C)OC(=O)n1cc(-c2nc(Cl)nn3cccc23)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.48
▸ MARK3 P27448 1/20 0.48
▸ MAP4K2 Q12851 1/20 0.48
▸ CAMK2B Q13554 1/20 0.48
▸ PIM3 Q86V86 1/20 0.48
▸ PIM2 Q9P1W9 1/20 0.48
▸ BRD4 O60885 1/20 0.44
▸ CREBBP Q92793 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ACHE P22303 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ EPHX1 P07099 1/20 0.37
▸ HTR6 P50406 2/20 0.35
▸ SPR P35270 1/20 0.35
▸ PDK1 Q15118 1/20 0.35
▸ HTT P42858 1/20 0.34

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
SCHEMBL29595692 0.82 PIM1 (0.50) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL22911971 0.82 PIM1 (0.50) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL24900428 0.77 PIM1 (0.42) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL30523903 0.76 PARP1 (0.45) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL30523904 0.76 PARP1 (0.45) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL31424128 0.76 PIM1 (0.48) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL28553930 0.75 DYRK1A (0.48) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL30076963 0.75 PIM1 (0.49) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL29236564 0.73 L3MBTL1 (0.57) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL28852671 0.73 PIM1 (0.46) PIM1MARK3MAP4K2CAMK2BPIM3

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-114133394-B Compound selectively aiming at activity of cell cycle dependent kinase 12, preparation method and medical application 赛诺哈勃药业(成都)有限公司 2023-12-08 — — CN disclosed
CN-114133394-A Compound selectively aiming at activity of cell cycle dependent kinase 12, preparation method and medical application 赛诺哈勃药业(成都)有限公司 2022-03-04 — — CN disclosed
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