SCHEMBL25604272

SCHEMBL25604272

CNC(=O)[C@H]1CNC[C@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4ccccc34)n2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNK O75909 16/20 1.00
CDK12 Q9NYV4 16/20 1.00
CCNE1 P24864 15/20 1.00
CDK2 P24941 15/20 1.00
CCNT1 O60563 13/20 1.00
CDK9 P50750 13/20 1.00
CDK7 P50613 13/20 1.00
CCNH P51946 13/20 1.00
MNAT1 P51948 11/20 1.00

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
SCHEMBL25604275 1.00 CCNK (1.00) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25604271 1.00 CCNK (1.00) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24839794 0.86 CCNK (1.00) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24839546 0.84 CCNK (0.76) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21188453 0.82 CCNE1 (0.74) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25329327 0.81 CDK7 (0.89) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25329325 0.81 CDK7 (0.89) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30204541 0.81 CCNK (0.72) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25595534 0.81 CCNK (0.72) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL31270302 0.80 CCNE1 (0.69) 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