SCHEMBL28544916

SCHEMBL28544916

Cc1nc(NC2CCN(C(=O)OC(C)(C)C)C2)ncc1Cl

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK12 Q9NYV4 9/20 0.56
CCNK O75909 8/20 0.56
USP30 Q70CQ3 4/20 0.51
MAPK8 P45983 2/20 0.45
MAPK9 P45984 2/20 0.45
MAPK10 P53779 2/20 0.45
CDK13 Q14004 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
IDH1 O75874 1/20 0.45
JUN P05412 1/20 0.45
CDK2 P24941 1/20 0.45
PIK3CD O00329 1/20 0.45
BTK Q06187 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
SCHEMBL23292333 1.00 CDK12 (0.56) CDK12CCNKUSP30MAPK8MAPK9
SCHEMBL22895770 1.00 CDK12 (0.56) CDK12CCNKUSP30MAPK8MAPK9
SCHEMBL22895533 0.90 USP30 (0.52) CDK12CCNKUSP30MAPK8MAPK9
SCHEMBL23292274 0.90 USP30 (0.52) CDK12CCNKUSP30MAPK8MAPK9
SCHEMBL28552023 0.90 USP30 (0.52) CDK12CCNKUSP30MAPK8MAPK9
SCHEMBL28546426 0.88 USP30 (0.50) CDK12CCNKUSP30MAPK8MAPK9
SCHEMBL28546428 0.88 USP30 (0.50) CDK12CCNKUSP30MAPK8MAPK9
SCHEMBL23292466 0.88 USP30 (0.50) CDK12CCNKUSP30MAPK8MAPK9
SCHEMBL23325385 0.88 CCNK (0.61) CDK12CCNKCDK13
SCHEMBL22895516 0.88 CCNK (0.61) CDK12CCNKCDK13

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