SCHEMBL28834115

SCHEMBL28834115

COc1cccc2c(NC3CCN(C(=O)OC(C)(C)C)C3)ccnc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.49
USP30 Q70CQ3 5/20 0.48
TNF P01375 3/20 0.48
LITAF Q99732 3/20 0.48
PIK3CA P42336 3/20 0.47
BTK Q06187 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PARP1 P09874 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
PIK3CB P42338 2/20 0.45
PIK3CG P48736 2/20 0.45
PIM1 P11309 2/20 0.45
PIM2 Q9P1W9 2/20 0.45

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
SCHEMBL29933364 1.00 PIK3CD (0.49) PIK3CDUSP30TNFLITAFPIK3CA
SCHEMBL28834114 1.00 PIK3CD (0.49) PIK3CDUSP30TNFLITAFPIK3CA
SCHEMBL28834238 0.93 USP30 (0.49) PIK3CDUSP30TNFLITAFPIK3CA
SCHEMBL29863210 0.93 USP30 (0.49) PIK3CDUSP30TNFLITAFPIK3CA
SCHEMBL29862661 0.93 USP30 (0.49) PIK3CDUSP30TNFLITAFPIK3CA
SCHEMBL28834157 0.93 USP30 (0.49) PIK3CDUSP30TNFLITAFPIK3CA
SCHEMBL28834155 0.93 USP30 (0.49) PIK3CDUSP30TNFLITAFPIK3CA
SCHEMBL28834014 0.89 USP30 (0.50) PIK3CDUSP30BTKPARP1PIM1
SCHEMBL28834013 0.89 USP30 (0.50) PIK3CDUSP30BTKPARP1PIM1
SCHEMBL29933367 0.89 USP30 (0.50) PIK3CDUSP30BTKPARP1PIM1

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