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Sugi Predict / Compounds / SCHEMBL30260796

SCHEMBL30260796

SCHEMBL30260796

CC(C)(O)C1CCN(C(=O)c2ccc3c(-c4nc(N[C@H]5CCCCNC5)ncc4C(F)(F)F)c[nH]c3c2)CC1

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 20/20 0.82
▸ CDK12 Q9NYV4 20/20 0.82
▸ CCNE1 P24864 14/20 0.82
▸ CDK2 P24941 14/20 0.82
▸ CDK7 P50613 7/20 0.82
▸ CCNH P51946 7/20 0.82
▸ MNAT1 P51948 7/20 0.82
▸ CCNT1 O60563 12/20 0.76
▸ CDK9 P50750 12/20 0.76

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
SCHEMBL30260898 0.92 CCNK (0.89) CCNKCDK12CCNE1CDK2CDK7
SCHEMBL24839704 0.90 CCNK (1.00) CCNKCDK12CCNE1CDK2CDK7
SCHEMBL30204018 0.90 CCNK (1.00) CCNKCDK12CCNE1CDK2CDK7
SCHEMBL25595621 0.88 CCNK (0.86) CCNKCDK12CCNE1CDK2CDK7
SCHEMBL24839837 0.88 CCNK (0.86) CCNKCDK12CCNE1CDK2CDK7
SCHEMBL24839703 0.87 CCNK (1.00) CCNKCDK12CCNE1CDK2CDK7
SCHEMBL30439044 0.87 CCNK (1.00) CCNKCDK12CCNE1CDK2CDK7
SCHEMBL25599414 0.87 CCNK (1.00) CCNKCDK12CCNE1CDK2CDK7
SCHEMBL24839542 0.87 CCNK (1.00) CCNKCDK12CCNE1CDK2CDK7
SCHEMBL24840706 0.87 CCNK (1.00) 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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