SCHEMBL30260781

SCHEMBL30260781

CC(C)(C)OC(=O)N1CCCC[C@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4cc(N5CCC(C(=O)O)CC5)ccc34)n2)C1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 19/20 0.60
▸ CDK12 Q9NYV4 19/20 0.60
▸ CDK7 P50613 9/20 0.60
▸ CCNH P51946 9/20 0.60
▸ MNAT1 P51948 9/20 0.60
▸ CCNE1 P24864 12/20 0.55
▸ CDK2 P24941 12/20 0.55
▸ CCNT1 O60563 10/20 0.52
▸ CDK9 P50750 10/20 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
SCHEMBL25595680 0.93 CCNK (0.66) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL30204041 0.93 CCNK (0.66) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL30260751 0.86 CCNK (0.64) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL21178767 0.86 CCNK (0.67) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL30439510 0.86 CCNK (0.67) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25595573 0.86 CCNK (0.67) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL28817275 0.86 CCNK (0.69) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL28817274 0.86 CCNK (0.69) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL30204027 0.85 CCNK (0.72) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25595631 0.85 CCNK (0.72) 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
WO-2023040998-A1 A CYCLIN-DEPENDENT KINASE INHIBITOR Taizhou Eoc Pharma Co., Ltd. (CN) 2023-03-23 — — WO disclosed
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