SCHEMBL20733113

SCHEMBL20733113

COCCN(C)C(=O)c1cnc2c(N)ncc(-c3ccc(-c4cnn(C)c4)cc3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCNC P24863 17/20 0.51
CDK8 P49336 17/20 0.51
CDK19 Q9BWU1 2/20 0.50
IGF1R P08069 1/20 0.45
MAP4K4 O95819 1/20 0.43
ATR Q13535 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
SCHEMBL21662611 0.92 IKBKE (0.45) CCNCCDK8CDK19IGF1RATR
SCHEMBL30688363 0.92 IKBKE (0.45) CCNCCDK8CDK19IGF1RATR
SCHEMBL21662458 0.88 CCNC (0.47) CCNCCDK8CDK19ATR
SCHEMBL21662612 0.87 CCNC (0.49) CCNCCDK8CDK19IGF1R
SCHEMBL30688357 0.87 CCNC (0.49) CCNCCDK8CDK19IGF1R
SCHEMBL20732927 0.85 CCNC (0.56) CCNCCDK8CDK19MAP4K4
SCHEMBL20732964 0.84 CCNC (0.49) CCNCCDK8CDK19IGF1R
SCHEMBL20732959 0.84 CCNC (0.56) CCNCCDK8CDK19MAP4K4
SCHEMBL20732879 0.81 MAP4K4 (0.60) CCNCCDK8CDK19MAP4K4
SCHEMBL20732881 0.80 CCNC (0.54) CCNCCDK8CDK19MAP4K4

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