SCHEMBL25601817

SCHEMBL25601817

N#Cc1ccc2c(-c3nc(NC4CC(O)CN(Cc5ccccc5)C4)ncc3C(F)(F)F)c[nH]c2c1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 18/20 0.71
▸ CDK12 Q9NYV4 18/20 0.71
▸ CDK7 P50613 12/20 0.71
▸ CCNH P51946 12/20 0.71
▸ MNAT1 P51948 11/20 0.71
▸ CCNT1 O60563 7/20 0.65
▸ CCNE1 P24864 7/20 0.65
▸ CDK2 P24941 7/20 0.65
▸ CDK9 P50750 7/20 0.65

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
SCHEMBL30204457 1.00 CCNK (0.71) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25601803 1.00 CCNK (0.71) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL30439772 1.00 CCNK (0.71) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL21188044 0.89 CCNK (0.58) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL24839876 0.84 CCNK (1.00) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL30439381 0.84 CCNK (1.00) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL30204555 0.84 CCNK (1.00) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL24087437 0.83 CCNK (0.64) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL21178258 0.81 CCNK (0.51) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL21184304 0.80 CCNK (0.73) 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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