SCHEMBL28547880

SCHEMBL28547880

CC(C)(C)OC(=O)N1CCC(Nc2cnc(Cl)cn2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNK O75909 2/20 0.52
CDK12 Q9NYV4 2/20 0.52
USP30 Q70CQ3 6/20 0.51
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PIK3CD O00329 1/20 0.47
BTK Q06187 1/20 0.46
JAK1 P23458 1/20 0.45
GPR119 Q8TDV5 1/20 0.45
ADORA1 P30542 1/20 0.45
CCNT1 O60563 1/20 0.44
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
HSD11B1 P28845 2/20 0.44
CYP2C9 P11712 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
SCHEMBL23292337 1.00 CCNK (0.52) CCNKCDK12USP30ALDH1A1NPC1
SCHEMBL22895710 1.00 CCNK (0.52) CCNKCDK12USP30ALDH1A1NPC1
SCHEMBL22895690 0.93 CCNK (0.54) CCNKCDK12USP30PIK3CDBTK
SCHEMBL23292436 0.93 CCNK (0.54) CCNKCDK12USP30PIK3CDBTK
SCHEMBL28546438 0.93 CCNK (0.54) CCNKCDK12USP30PIK3CDBTK
SCHEMBL22895515 0.88 USP30 (0.55) CCNKCDK12USP30ALDH1A1NPC1
SCHEMBL28545458 0.88 USP30 (0.55) CCNKCDK12USP30ALDH1A1NPC1
SCHEMBL23292271 0.88 USP30 (0.55) CCNKCDK12USP30ALDH1A1NPC1
SCHEMBL23292407 0.86 USP30 (0.53) CCNKCDK12USP30ALDH1A1NPC1
SCHEMBL22895670 0.86 USP30 (0.53) CCNKCDK12USP30ALDH1A1NPC1

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