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SCHEMBL30260897

SCHEMBL30260897

COC(=O)c1ccc2c(-c3nc(N[C@H]4CCCCN(C(=O)OC(C)(C)C)C4)ncc3C(F)(F)F)c[nH]c2c1Br

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 19/20 0.48
▸ CDK12 Q9NYV4 19/20 0.48
▸ CCNE1 P24864 14/20 0.48
▸ CDK2 P24941 14/20 0.48
▸ CDK7 P50613 7/20 0.48
▸ CCNH P51946 7/20 0.48
▸ MNAT1 P51948 6/20 0.48
▸ CCNT1 O60563 14/20 0.48
▸ CDK9 P50750 14/20 0.48

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
SCHEMBL25596414 0.92 CCNK (0.49) CCNKCDK12CCNE1CDK2CDK7
SCHEMBL26323306 0.92 CCNK (0.49) CCNKCDK12CCNE1CDK2CDK7
SCHEMBL25596475 0.87 CDK7 (0.47) CCNKCDK12CCNE1CDK2CDK7
SCHEMBL25594065 0.87 CDK7 (0.47) CCNKCDK12CCNE1CDK2CDK7
SCHEMBL24588150 0.87 CCNK (0.55) CCNKCDK12CCNE1CDK2CDK7
SCHEMBL25594676 0.87 CDK7 (0.48) CCNKCDK12CCNE1CDK2CDK7
SCHEMBL26323411 0.86 CCNK (0.47) CCNKCDK12CCNE1CDK2CDK7
SCHEMBL25594406 0.86 CDK7 (0.47) CCNKCDK12CCNE1CDK2CDK7
SCHEMBL25597107 0.86 CCNK (0.49) CCNKCDK12CCNE1CDK2CDK7
SCHEMBL29492509 0.86 CCNK (0.63) CCNKCDK12CCNE1CDK2CDK7

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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