SCHEMBL25597338

SCHEMBL25597338

CC(C)(C)OC(=O)N1CCCC(Nc2ncc(C(F)(F)F)c(-c3c[nH]c4cc(N)ccc34)n2)C1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 8/20 0.59
▸ CCNH P51946 8/20 0.59
▸ MNAT1 P51948 8/20 0.59
▸ CCNK O75909 19/20 0.58
▸ CDK12 Q9NYV4 19/20 0.58
▸ CCNE1 P24864 14/20 0.58
▸ CDK2 P24941 14/20 0.58
▸ CCNT1 O60563 12/20 0.57
▸ CDK9 P50750 12/20 0.57

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
SCHEMBL25595573 0.91 CCNK (0.67) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL30439510 0.91 CCNK (0.67) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL21178767 0.91 CCNK (0.67) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL29872516 0.90 CCNK (0.62) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL21178302 0.90 CCNK (0.62) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL30204041 0.90 CCNK (0.66) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL21188385 0.90 CCNK (0.62) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL30204021 0.90 CCNK (0.62) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL30204027 0.90 CCNK (0.72) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25595601 0.90 CDK7 (0.58) 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
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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