SCHEMBL25597589

SCHEMBL25597589

CC(C)(C)OC(=O)N1CCCC(Nc2ncc(C(F)(F)F)c(-c3c[nH]c4c(C#N)c(C#N)ccc34)n2)C1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 19/20 0.65
▸ CDK12 Q9NYV4 19/20 0.65
▸ CCNE1 P24864 16/20 0.65
▸ CDK2 P24941 16/20 0.65
▸ CCNT1 O60563 15/20 0.65
▸ CDK9 P50750 15/20 0.65
▸ CDK7 P50613 10/20 0.55
▸ CCNH P51946 10/20 0.55
▸ MNAT1 P51948 7/20 0.52
▸ CYP2D6 P10635 1/20 0.52

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
SCHEMBL24588150 0.93 CCNK (0.55) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24588151 0.92 CCNK (0.63) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL28817273 0.92 CCNK (0.63) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL28817272 0.92 CCNK (0.63) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30204055 0.91 CCNK (0.69) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25595312 0.90 CCNK (0.52) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30359945 0.88 CCNK (0.50) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30204068 0.87 CCNK (0.63) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24588759 0.87 CCNK (0.63) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25597463 0.87 CCNK (0.63) 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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