SCHEMBL26045636

SCHEMBL26045636

COC(=O)c1ccc2c(-c3nc(N[C@H]4CC[C@H](NC(=O)OC(C)(C)C)C4)ncc3C(F)(F)F)c[nH]c2c1S(C)(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 9/20 0.53
▸ CCNH P51946 9/20 0.53
▸ MNAT1 P51948 5/20 0.53
▸ CCNK O75909 18/20 0.52
▸ CDK12 Q9NYV4 18/20 0.52
▸ CCNT1 O60563 16/20 0.52
▸ CCNE1 P24864 16/20 0.52
▸ CDK2 P24941 16/20 0.52
▸ CDK9 P50750 16/20 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
SCHEMBL25362356 0.90 CDK7 (0.48) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL30456173 0.90 CDK7 (0.48) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL30456071 0.90 CDK7 (0.48) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25367232 0.90 CDK7 (0.48) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25360549 0.88 CCNK (0.51) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL31122398 0.88 CCNK (0.52) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL30456342 0.88 CCNK (0.51) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25365774 0.88 CCNK (0.52) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL30457154 0.88 CCNK (0.52) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25362763 0.85 CCNK (0.51) CDK7CCNHMNAT1CCNKCDK12

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-2023116761-A1 PYRIMIDINE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 英矽智能科技知识产权有限公司 2023-06-29 — — WO disclosed
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