SCHEMBL28544359

SCHEMBL28544359

CCC(=O)Nc1ccc(C(=O)N2CCCC(Nc3nccc(N4CCOCC4)n3)C2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK12 Q9NYV4 18/20 1.00
CCNK O75909 17/20 1.00
CDK7 P50613 12/20 0.64
CCNH P51946 12/20 0.64
MNAT1 P51948 12/20 0.64
CCNA2 P20248 11/20 0.64
CDK2 P24941 11/20 0.64

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
SCHEMBL29777694 1.00 CDK12 (1.00) CDK12CCNKCDK7CCNHMNAT1
SCHEMBL22895491 1.00 CDK12 (1.00) CDK12CCNKCDK7CCNHMNAT1
SCHEMBL29777697 0.87 CDK12 (1.00) CDK12CCNKCDK7CCNHMNAT1
SCHEMBL22895532 0.87 CDK12 (1.00) CDK12CCNKCDK7CCNHMNAT1
SCHEMBL28545656 0.80 CCNK (0.66) CDK12CCNKCDK2
SCHEMBL28545658 0.80 CCNK (0.66) CDK12CCNKCDK2
SCHEMBL29777723 0.78 CCNK (1.00) CDK12CCNKCDK7CCNHMNAT1
SCHEMBL22895497 0.78 CCNK (1.00) CDK12CCNKCDK7CCNHMNAT1
SCHEMBL23063677 0.78 CDK7 (1.00) CDK12CCNKCDK7CCNHMNAT1
SCHEMBL23002982 0.78 CDK7 (1.00) CDK12CCNKCDK7CCNHMNAT1

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