SCHEMBL25599402

SCHEMBL25599402

CC1(O)CCN(C(=O)c2ccc3c(-c4nc(NC5CCCN(C(=O)OC(C)(C)C)C5)ncc4C(F)(F)F)c[nH]c3c2)CC1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 20/20 0.75
▸ CDK12 Q9NYV4 20/20 0.75
▸ CCNE1 P24864 14/20 0.75
▸ CDK2 P24941 14/20 0.75
▸ CDK7 P50613 8/20 0.65
▸ CCNH P51946 8/20 0.65
▸ MNAT1 P51948 8/20 0.65
▸ CCNT1 O60563 12/20 0.62
▸ CDK9 P50750 12/20 0.62

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
SCHEMBL30204131 1.00 CCNK (0.75) CCNKCDK12CCNE1CDK2CDK7
SCHEMBL25599408 1.00 CCNK (0.75) CCNKCDK12CCNE1CDK2CDK7
SCHEMBL25596028 0.96 CCNK (0.75) CCNKCDK12CCNE1CDK2CDK7
SCHEMBL25595983 0.96 CCNK (0.75) CCNKCDK12CCNE1CDK2CDK7
SCHEMBL30204110 0.96 CCNK (0.75) CCNKCDK12CCNE1CDK2CDK7
SCHEMBL25595631 0.94 CCNK (0.72) CCNKCDK12CCNE1CDK2CDK7
SCHEMBL25595637 0.94 CCNK (0.72) CCNKCDK12CCNE1CDK2CDK7
SCHEMBL30204027 0.94 CCNK (0.72) CCNKCDK12CCNE1CDK2CDK7
SCHEMBL30204207 0.92 CCNK (0.74) CCNKCDK12CCNE1CDK2CDK7
SCHEMBL30204077 0.92 CCNK (0.74) CCNKCDK12CCNE1CDK2CDK7

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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