SCHEMBL25595680

SCHEMBL25595680

CC(C)(C)OC(=O)N1CCC[C@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4cc(N5CCCC5)ccc34)n2)C1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 19/20 0.66
▸ CDK12 Q9NYV4 19/20 0.66
▸ CDK7 P50613 10/20 0.66
▸ CCNH P51946 10/20 0.66
▸ MNAT1 P51948 10/20 0.66
▸ CCNE1 P24864 13/20 0.59
▸ CDK2 P24941 13/20 0.59
▸ CCNT1 O60563 11/20 0.56
▸ CDK9 P50750 11/20 0.56

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
SCHEMBL30204041 1.00 CCNK (0.66) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL30260781 0.93 CCNK (0.60) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25595637 0.90 CCNK (0.72) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25595631 0.90 CCNK (0.72) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL30204027 0.90 CCNK (0.72) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25597338 0.90 CDK7 (0.59) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL21178767 0.90 CCNK (0.67) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25595573 0.90 CCNK (0.67) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL30439510 0.90 CCNK (0.67) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL30204109 0.89 CCNK (0.67) CCNKCDK12CDK7CCNHMNAT1

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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