SCHEMBL26967490

SCHEMBL26967490

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

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 18/20 0.72
▸ CDK12 Q9NYV4 18/20 0.72
▸ CCNE1 P24864 14/20 0.72
▸ CDK2 P24941 14/20 0.72
▸ CCNT1 O60563 13/20 0.72
▸ CDK9 P50750 13/20 0.72
▸ CDK7 P50613 11/20 0.68
▸ CCNH P51946 11/20 0.68
▸ MNAT1 P51948 10/20 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
SCHEMBL30204064 0.91 CCNK (0.67) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25220110 0.90 CCNK (0.72) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25225790 0.85 CCNK (0.67) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25267992 0.85 CCNK (0.78) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24839873 0.84 CCNK (1.00) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30687205 0.84 CCNK (1.00) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25263432 0.83 CCNK (0.49) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL28817263 0.83 CCNK (0.72) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL28817259 0.83 CCNK (0.72) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30204106 0.82 CDK7 (0.76) 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-4295852-A2 PIPERIDINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2023-12-27 — — EP disclosed
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