SCHEMBL28545458

SCHEMBL28545458

Cc1cnc(NC2CCN(C(=O)OC(C)(C)C)C2)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 6/20 0.55
CCNK O75909 1/20 0.53
CDK12 Q9NYV4 1/20 0.53
PIK3CD O00329 1/20 0.48
ALDH1A1 P00352 2/20 0.47
BTK Q06187 1/20 0.47
MAPT P10636 2/20 0.46
NPC1 O15118 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
GPR119 Q8TDV5 1/20 0.46
JAK1 P23458 1/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SYK P43405 1/20 0.46
ADORA1 P30542 1/20 0.46

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
SCHEMBL23292271 1.00 USP30 (0.55) USP30CCNKCDK12PIK3CDALDH1A1
SCHEMBL22895515 1.00 USP30 (0.55) USP30CCNKCDK12PIK3CDALDH1A1
SCHEMBL22895710 0.88 CCNK (0.52) USP30CCNKCDK12PIK3CDALDH1A1
SCHEMBL24179474 0.88 USP30 (0.51) USP30PIK3CDALDH1A1BTKMAPT
SCHEMBL23292337 0.88 CCNK (0.52) USP30CCNKCDK12PIK3CDALDH1A1
SCHEMBL28547880 0.88 CCNK (0.52) USP30CCNKCDK12PIK3CDALDH1A1
SCHEMBL25851878 0.88 USP30 (0.51) USP30PIK3CDALDH1A1BTKMAPT
SCHEMBL23292281 0.87 USP30 (0.54) USP30CCNKCDK12PIK3CDALDH1A1
SCHEMBL22895552 0.87 USP30 (0.54) USP30CCNKCDK12PIK3CDALDH1A1
SCHEMBL28911208 0.87 USP30 (0.54) USP30CCNKCDK12PIK3CDALDH1A1

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