SCHEMBL25600334

SCHEMBL25600334

CC(C)S(=O)(=O)c1ccc2c(-c3nc(N[C@H]4CCCN(C(=O)OC(C)(C)C)C4)ncc3C(F)(F)F)c[nH]c2c1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 18/20 0.68
▸ CDK12 Q9NYV4 18/20 0.68
▸ CCNE1 P24864 13/20 0.68
▸ CDK2 P24941 13/20 0.68
▸ CCNT1 O60563 12/20 0.68
▸ CDK9 P50750 12/20 0.68
▸ CDK7 P50613 9/20 0.68
▸ CCNH P51946 9/20 0.68
▸ MNAT1 P51948 8/20 0.68

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
SCHEMBL30204141 1.00 CCNK (0.68) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30204106 0.93 CDK7 (0.76) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25600955 0.93 CDK7 (0.76) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30204199 0.91 CCNK (0.68) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30204064 0.91 CCNK (0.67) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30203992 0.91 CCNK (0.68) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25597338 0.88 CDK7 (0.59) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30203978 0.87 CCNK (0.79) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178767 0.87 CCNK (0.67) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30439510 0.87 CCNK (0.67) CCNKCDK12CCNE1CDK2CCNT1

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
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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