SCHEMBL23292227

SCHEMBL23292227

CC(C)(C)OC(=O)N1CC[C@H](Nc2ncc(Cl)c(OCC(F)(F)F)n2)C1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CDK12 Q9NYV4 16/20 0.65
▸ CCNK O75909 15/20 0.48
▸ CDK13 Q14004 1/20 0.47
▸ IDH1 O75874 1/20 0.46
▸ USP30 Q70CQ3 1/20 0.46
▸ MAPK3 P27361 1/20 0.44
▸ HDAC4 P56524 1/20 0.43
▸ HDAC6 Q9UBN7 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
SCHEMBL28550159 1.00 CDK12 (0.65) CDK12CCNKCDK13IDH1USP30
SCHEMBL22895468 1.00 CDK12 (0.65) CDK12CCNKCDK13IDH1USP30
SCHEMBL22895930 0.90 CDK12 (0.55) CDK12CCNKCDK13USP30
SCHEMBL23292283 0.90 CDK12 (0.55) CDK12CCNKCDK13USP30
SCHEMBL22895412 0.88 CDK12 (0.51) CDK12CCNKCDK13USP30
SCHEMBL23292179 0.88 CDK12 (0.51) CDK12CCNKCDK13USP30
SCHEMBL28551795 0.88 CDK12 (0.51) CDK12CCNKCDK13USP30
SCHEMBL23292344 0.88 CCNK (0.61) CDK12CCNKCDK13
SCHEMBL22895516 0.88 CCNK (0.61) CDK12CCNKCDK13
SCHEMBL23325385 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
EP-3813819-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES Kinnate Biopharma Inc. (US) 2021-05-05 — — EP disclosed
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