SCHEMBL25268697

SCHEMBL25268697

COC(=O)c1ccc2c(-c3nc(N[C@H]4CCCN(C(=O)OC(C)(C)C)C4)ncc3C(F)(F)F)cn(COCC[Si](C)(C)C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 9/20 0.43
▸ CCNH P51946 9/20 0.43
▸ MNAT1 P51948 9/20 0.43
▸ CCNT1 O60563 7/20 0.43
▸ CDK9 P50750 7/20 0.43
▸ CCNK O75909 16/20 0.42
▸ CDK12 Q9NYV4 15/20 0.42
▸ CDK2 P24941 9/20 0.42
▸ CCNE1 P24864 8/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ CCNA2 P20248 1/20 0.40
▸ CDK13 Q14004 1/20 0.40

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
SCHEMBL30439347 1.00 CDK7 (0.43) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL29509244 0.92 CDK7 (0.40) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL24087391 0.92 CDK7 (0.40) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL30203949 0.91 CDK7 (0.42) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL30204452 0.90 CDK7 (0.42) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL24087388 0.90 CCNK (0.49) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL29509168 0.90 CCNK (0.49) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL24087348 0.89 HDAC4 (0.46) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL29509197 0.89 HDAC4 (0.46) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL30204122 0.89 CCNK (0.46) CDK7CCNHMNAT1CCNT1CDK9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4295852-A2 PIPERIDINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2023-12-27 — — EP disclosed
EP-3484871-B1 PIPERIDINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2023-06-07 — — EP disclosed
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