SCHEMBL30958686

SCHEMBL30958686

CC(C)(C)OC(=O)N1CC[C@H](Nc2cccc3nc(C#N)ccc23)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.47
EHMT2 Q96KQ7 1/20 0.47
BRD4 O60885 1/20 0.46
PIK3CD O00329 2/20 0.46
USP30 Q70CQ3 2/20 0.46
PARP1 P09874 2/20 0.45
PIM1 P11309 2/20 0.44
PIM2 Q9P1W9 2/20 0.44
BTK Q06187 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GPR119 Q8TDV5 5/20 0.43
IDH1 O75874 1/20 0.43

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
SCHEMBL29933579 1.00 NSD2 (0.47) NSD2EHMT2BRD4PIK3CDUSP30
SCHEMBL23360485 0.86 ROCK2 (0.38) NSD2EHMT2PIK3CDUSP30
SCHEMBL23360487 0.86 ROCK2 (0.38) NSD2EHMT2PIK3CDUSP30
SCHEMBL28834236 0.82 PIK3CD (0.54) NSD2EHMT2BRD4PIK3CDUSP30
SCHEMBL28834235 0.82 PIK3CD (0.54) NSD2EHMT2BRD4PIK3CDUSP30
SCHEMBL29862673 0.82 PIK3CD (0.54) NSD2EHMT2BRD4PIK3CDUSP30
SCHEMBL28834056 0.82 USP30 (0.50) BRD4PIK3CDUSP30PIM1PIM2
SCHEMBL28952019 0.82 USP30 (0.50) BRD4PIK3CDUSP30PIM1PIM2
SCHEMBL28834054 0.82 USP30 (0.50) BRD4PIK3CDUSP30PIM1PIM2
SCHEMBL29862610 0.82 USP30 (0.50) BRD4PIK3CDUSP30PIM1PIM2

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 1 patent. 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