SCHEMBL25220138

SCHEMBL25220138

O=C1CCN(C(=O)c2ccc3c(-c4nc(N[C@H]5CCCN(C(=O)O)C5)ncc4C(F)(F)F)c[nH]c3c2)C1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 20/20 0.79
▸ CDK12 Q9NYV4 20/20 0.79
▸ CCNE1 P24864 14/20 0.79
▸ CDK2 P24941 14/20 0.79
▸ CCNT1 O60563 12/20 0.79
▸ CDK9 P50750 12/20 0.79
▸ CDK7 P50613 7/20 0.79
▸ CCNH P51946 7/20 0.79
▸ MNAT1 P51948 7/20 0.79

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
SCHEMBL25267992 0.92 CCNK (0.78) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30204519 0.91 CCNK (0.74) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL26967491 0.89 CCNK (0.80) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL31270040 0.88 CCNK (1.00) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24839849 0.88 CCNK (1.00) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25225790 0.88 CCNK (0.67) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25273646 0.87 CCNK (0.79) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25258671 0.86 CCNK (0.80) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25268483 0.86 CCNK (0.80) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL26967495 0.86 CCNK (0.80) 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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