SCHEMBL28834236

SCHEMBL28834236

CC(C)(C)OC(=O)N1CCC(Nc2cccc3ncc(C#N)cc23)C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.54
IRAK4 Q9NWZ3 5/20 0.52
GPR119 Q8TDV5 2/20 0.49
PIK3CA P42336 1/20 0.47
USP30 Q70CQ3 2/20 0.47
NSD2 O96028 2/20 0.46
EHMT2 Q96KQ7 1/20 0.46
BRD4 O60885 1/20 0.45
PIM1 P11309 2/20 0.45
PIM2 Q9P1W9 2/20 0.45
TNF P01375 2/20 0.44
BTK Q06187 1/20 0.44
CNR1 P21554 1/20 0.44

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
SCHEMBL29862673 1.00 PIK3CD (0.54) PIK3CDIRAK4GPR119PIK3CAUSP30
SCHEMBL28834235 1.00 PIK3CD (0.54) PIK3CDIRAK4GPR119PIK3CAUSP30
SCHEMBL28834294 0.87 PIK3CD (0.51) PIK3CDGPR119PIK3CAUSP30BRD4
SCHEMBL29862603 0.87 PIK3CD (0.51) PIK3CDGPR119PIK3CAUSP30BRD4
SCHEMBL28834295 0.87 PIK3CD (0.51) PIK3CDGPR119PIK3CAUSP30BRD4
SCHEMBL28834015 0.86 CNR1 (0.52) PIK3CDPIK3CAUSP30BRD4PIM1
SCHEMBL28834077 0.86 PIK3CD (0.51) PIK3CDPIK3CAUSP30BRD4PIM1
SCHEMBL28834105 0.86 CNR1 (0.52) PIK3CDPIK3CAUSP30BRD4PIM1
SCHEMBL29862695 0.86 PIK3CD (0.51) PIK3CDPIK3CAUSP30BRD4PIM1
SCHEMBL28834016 0.86 CNR1 (0.52) PIK3CDPIK3CAUSP30BRD4PIM1

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-114867719-B Pyrrolidine and piperidine compounds 柳韩洋行 2024-06-25 CN disclosed
CN-114867719-A Pyrrolidine and piperidine compounds 柳韩洋行 2022-08-05 CN disclosed