SCHEMBL28559072

SCHEMBL28559072

[2H]C([2H])([2H])Oc1nc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)ncc1Cl

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CDK12 Q9NYV4 19/20 0.54
CCNK O75909 18/20 0.54
CDK13 Q14004 1/20 0.52
USP30 Q70CQ3 1/20 0.47

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
SCHEMBL28559075 1.00 CDK12 (0.54) CDK12CCNKCDK13USP30
SCHEMBL23292315 1.00 CDK12 (0.54) CDK12CCNKCDK13USP30
SCHEMBL23292344 0.93 CCNK (0.61) CDK12CCNKCDK13
SCHEMBL22895516 0.93 CCNK (0.61) CDK12CCNKCDK13
SCHEMBL23325385 0.93 CCNK (0.61) CDK12CCNKCDK13
SCHEMBL31548536 0.93 CCNK (0.61) CDK12CCNKCDK13
SCHEMBL23292317 0.91 CCNK (0.45) CDK12CCNKCDK13USP30
SCHEMBL23292276 0.87 CCNK (0.57) CDK12CCNKCDK13
SCHEMBL23292283 0.87 CDK12 (0.55) CDK12CCNKCDK13USP30
SCHEMBL22895937 0.87 CCNK (0.57) 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