SCHEMBL20732964

SCHEMBL20732964

COCCN(C)C(=O)c1cnc2cncc(-c3ccc(-c4cnn(C)c4)cc3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNC P24863 16/20 0.49
CDK8 P49336 16/20 0.49
IGF1R P08069 1/20 0.46
CDK19 Q9BWU1 1/20 0.42
CYP11B2 P19099 1/20 0.42
RET P07949 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41

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
SCHEMBL20733056 0.90 CCNC (0.49) CCNCCDK8IGF1RMKNK1MKNK2
SCHEMBL20732965 0.85 CCNC (0.54) CCNCCDK8MKNK1MKNK2
SCHEMBL20732925 0.84 CCNC (0.52) CCNCCDK8CDK19MKNK1MKNK2
SCHEMBL20733113 0.84 CCNC (0.51) CCNCCDK8IGF1RCDK19
SCHEMBL20732937 0.83 CCNC (0.53) CCNCCDK8CDK19MKNK1MKNK2
SCHEMBL20732961 0.83 CCNC (0.52) CCNCCDK8MKNK1MKNK2
SCHEMBL20732932 0.80 CCNC (0.57) CCNCCDK8MKNK1MKNK2
SCHEMBL20732880 0.79 CCNC (0.52) CCNCCDK8CDK19MKNK1MKNK2
SCHEMBL30688363 0.76 IKBKE (0.45) CCNCCDK8IGF1RCDK19
SCHEMBL20732991 0.76 CCNC (0.62) CCNCCDK8CDK19

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111670183-A Novel heterocyclic compounds as CDK8/19 inhibitors BIOCAD股份公司 2020-09-15 CN claimed
EP-3666770-A1 NOVEL HETEROCYCLIC COMPOUNDS AS CDK8/19 INHIBITORS Joint Stock Company "Biocad" (RU) 2020-06-17 EP claimed
EP-3666770-A1 NOVEL HETEROCYCLIC COMPOUNDS AS CDK8/19 INHIBITORS Joint Stock Company "Biocad" (RU) 2020-06-17 EP disclosed
EP-3666770-A1 NOVEL HETEROCYCLIC COMPOUNDS AS CDK8/19 INHIBITORS Joint Stock Company "Biocad" (RU) 2020-06-17 EP disclosed
WO-2019031990-A1 NOVEL HETEROCYCLIC COMPOUNDS AS CDK8/19 INHIBITORS ЗАКРЫТОЕ АКЦИОНЕРНОЕ ОБЩЕСТВО "БИОКАД" 2019-02-14 WO disclosed