SCHEMBL28551817

SCHEMBL28551817

CC(C)(C)OC(=O)N1CC[C@@H](Nc2ncc(Br)cn2)C1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNK O75909 2/20 0.53
CDK12 Q9NYV4 2/20 0.53
USP30 Q70CQ3 6/20 0.53
PIK3CD O00329 1/20 0.48
ALDH1A1 P00352 2/20 0.47
BTK Q06187 2/20 0.47
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FPR3 P25089 1/20 0.46
FPR2 P25090 1/20 0.46
IGF1R P08069 2/20 0.46
IDH1 O75874 1/20 0.46
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
EPHX1 P07099 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
SCHEMBL23292461 1.00 CCNK (0.53) CCNKCDK12USP30PIK3CDALDH1A1
SCHEMBL889080 1.00 CCNK (0.53) CCNKCDK12USP30PIK3CDALDH1A1
SCHEMBL269894 0.93 FPR2 (0.48) CCNKCDK12USP30PIK3CDBTK
SCHEMBL269817 0.93 FPR2 (0.48) CCNKCDK12USP30PIK3CDBTK
SCHEMBL3774389 0.93 ALDH1A1 (0.55) CCNKCDK12USP30ALDH1A1NPC1
SCHEMBL29161251 0.90 CCNK (0.44) CCNKCDK12USP30ALDH1A1NPC1
SCHEMBL28549570 0.89 USP30 (0.53) CCNKCDK12USP30PIK3CDALDH1A1
SCHEMBL22895509 0.89 USP30 (0.53) CCNKCDK12USP30PIK3CDALDH1A1
SCHEMBL23292240 0.89 USP30 (0.53) CCNKCDK12USP30PIK3CDALDH1A1
SCHEMBL22895519 0.88 CCNK (0.53) CCNKCDK12USP30PIK3CDALDH1A1

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-112638373-A Cyclin-dependent kinase inhibitors 金耐特生物制药公司 2021-04-09 CN disclosed