SCHEMBL28817296

SCHEMBL28817296

CC1(C)CC[C@H](Nc2ncc(Br)c(-c3c[nH]c4cc(C#N)ccc34)n2)CN1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 16/20 0.78
▸ CDK12 Q9NYV4 16/20 0.78
▸ CDK7 P50613 13/20 0.78
▸ CCNH P51946 13/20 0.78
▸ MNAT1 P51948 11/20 0.78
▸ CCNT1 O60563 9/20 0.59
▸ CCNE1 P24864 9/20 0.59
▸ CDK2 P24941 9/20 0.59
▸ CDK9 P50750 9/20 0.59
▸ CYP2D6 P10635 1/20 0.52

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
SCHEMBL28817298 1.00 CCNK (0.78) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL22115128 0.88 CCNK (1.00) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL24145820 0.87 CCNK (0.90) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL30716188 0.83 CCNK (0.63) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL26696858 0.83 CCNK (0.63) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL30716342 0.79 CCNK (0.59) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL26696963 0.79 CCNK (0.59) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL26696965 0.79 CCNK (0.59) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL24840691 0.78 CCNK (1.00) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL24840690 0.78 CCNK (1.00) CCNKCDK12CDK7CCNHMNAT1

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-114907407-A Inhibitors of cyclin dependent kinase 7(CDK7) 江苏先声药业有限公司 2022-08-16 — — CN disclosed
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