SCHEMBL20733006

SCHEMBL20733006

Cn1cc(-c2ccc(-c3cncc4ncc(I)cc34)cc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCNC P24863 18/20 0.51
CDK8 P49336 18/20 0.51
ACVR1 Q04771 1/20 0.43
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42

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
SCHEMBL20733012 0.85 CCNC (0.52) CCNCCDK8ACVR1MKNK1MKNK2
SCHEMBL28905760 0.81 CCNC (0.50) CCNCCDK8ACVR1MKNK1MKNK2
SCHEMBL22070452 0.81 CCNC (0.48) CCNCCDK8ACVR1
SCHEMBL20732932 0.81 CCNC (0.57) CCNCCDK8MKNK1MKNK2
SCHEMBL20732965 0.78 CCNC (0.54) CCNCCDK8MKNK1MKNK2
SCHEMBL22070425 0.77 CCNC (0.48) CCNCCDK8ACVR1
SCHEMBL20732929 0.76 CCNC (0.64) CCNCCDK8
SCHEMBL20732991 0.76 CCNC (0.62) CCNCCDK8
SCHEMBL20732992 0.76 CCNC (0.57) CCNCCDK8ACVR1
SCHEMBL20733071 0.76 CCNC (0.56) CCNCCDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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