SCHEMBL26696940

SCHEMBL26696940

CC(C)c1cnn2c(NCc3cccc(N)c3)nc(N3CCC(NC(=O)OC(C)(C)C)CC3)nc12

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.56
CDK9 P50750 10/20 0.56
CDK7 P50613 10/20 0.44
CCNH P51946 10/20 0.44
MNAT1 P51948 10/20 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
SCHEMBL26696720 0.89 CDK2 (0.45) CDK2CDK9CDK7CCNHMNAT1
SCHEMBL21482000 0.84 CDK9 (0.43) CDK2CDK9CDK7CCNHMNAT1
SCHEMBL21482005 0.82 CDK9 (0.40) CDK2CDK9
SCHEMBL30716199 0.80 CKS1B (0.43) CDK2CDK9CDK7CCNHMNAT1
SCHEMBL18073080 0.78 CDK2 (0.75) CDK2CDK9CDK7CCNHMNAT1
SCHEMBL18073082 0.77 CDK9 (0.56) CDK2CDK9CDK7CCNHMNAT1
SCHEMBL26697094 0.76 CDK2 (0.69) CDK2CDK9CDK7CCNHMNAT1
SCHEMBL26697105 0.76 CDK2 (0.51) CDK2CDK9CDK7CCNHMNAT1
SCHEMBL23351749 0.75 CDK7 (0.43) CDK2CDK9CDK7CCNHMNAT1
SCHEMBL18073059 0.75 CDK9 (0.73) CDK2CDK9CDK7CCNHMNAT1

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
WO-2023227125-A1 NEW FUSED-HETEROCYCLIC COMPOUND AS CDK INHIBITOR AND USE THEREOF 杭州德睿智药科技有限公司 2023-11-30 WO disclosed