SCHEMBL25599195

SCHEMBL25599195

CC(C)(C)OC(=O)N1C[C@@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4cc(C#N)ccc34)n2)CC[C@@H]1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 17/20 0.62
▸ CDK12 Q9NYV4 17/20 0.62
▸ CCNT1 O60563 10/20 0.62
▸ CCNE1 P24864 10/20 0.62
▸ CDK2 P24941 10/20 0.62
▸ CDK9 P50750 10/20 0.62
▸ CDK7 P50613 11/20 0.59
▸ CCNH P51946 11/20 0.59
▸ MNAT1 P51948 10/20 0.59

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
SCHEMBL25599197 0.86 CDK7 (0.67) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL28817275 0.86 CCNK (0.69) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL28817274 0.86 CCNK (0.69) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24176231 0.81 CCNK (0.61) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24176609 0.81 CCNK (0.61) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21184581 0.80 CCNK (0.76) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL28817259 0.80 CCNK (0.72) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL28817263 0.80 CCNK (0.72) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21184348 0.79 CCNK (0.85) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21184353 0.78 CCNK (0.73) CCNKCDK12CCNT1CCNE1CDK2

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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