SCHEMBL28547873

SCHEMBL28547873

C[Si](C)(C)C#Cc1cnc(N[C@@H]2CCN(C(=O)O)C2)nc1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CDK12 Q9NYV4 17/20 0.44
▸ CCNK O75909 16/20 0.44
▸ ACACB O00763 3/20 0.40

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
SCHEMBL28547874 1.00 CDK12 (0.44) CDK12CCNKACACB
SCHEMBL23292301 1.00 CDK12 (0.44) CDK12CCNKACACB
SCHEMBL28552979 0.85 USP30 (0.48) CDK12CCNK
SCHEMBL23292368 0.85 USP30 (0.48) CDK12CCNK
SCHEMBL22895686 0.85 USP30 (0.48) CDK12CCNK
SCHEMBL28541024 0.83 CCNK (0.60) CDK12CCNK
SCHEMBL28541025 0.83 CCNK (0.60) CDK12CCNK
SCHEMBL28557316 0.81 CDK12 (0.57) CDK12CCNK
SCHEMBL28557319 0.81 CDK12 (0.57) CDK12CCNK
SCHEMBL28551451 0.78 CDK12 (0.57) CDK12CCNK

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
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