SCHEMBL25597252

SCHEMBL25597252

CC1(C)CNCC(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
▸ CCNE1 P24864 14/20 1.00
▸ CDK2 P24941 14/20 1.00
▸ CCNK O75909 14/20 1.00
▸ CDK12 Q9NYV4 14/20 1.00
▸ CDK7 P50613 14/20 1.00
▸ CCNH P51946 14/20 1.00
▸ CCNT1 O60563 12/20 1.00
▸ CDK9 P50750 12/20 1.00
▸ MNAT1 P51948 12/20 0.74

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
SCHEMBL22115125 1.00 CCNE1 (1.00) CCNE1CDK2CCNKCDK12CDK7
SCHEMBL30203920 1.00 CCNE1 (1.00) CCNE1CDK2CCNKCDK12CDK7
SCHEMBL24839778 0.90 CCNE1 (1.00) CCNE1CDK2CCNKCDK12CDK7
SCHEMBL30204413 0.90 CCNE1 (1.00) CCNE1CDK2CCNKCDK12CDK7
SCHEMBL25263660 0.85 CCNK (1.00) CCNE1CDK2CCNKCDK12CDK7
SCHEMBL25329327 0.84 CDK7 (0.89) CCNE1CDK2CCNKCDK12CDK7
SCHEMBL25329325 0.84 CDK7 (0.89) CCNE1CDK2CCNKCDK12CDK7
SCHEMBL22115126 0.84 CDK7 (1.00) CCNE1CDK2CCNKCDK12CDK7
SCHEMBL29498451 0.84 CDK7 (1.00) CCNE1CDK2CCNKCDK12CDK7
SCHEMBL21188808 0.83 CCNK (0.76) CCNE1CDK2CCNKCDK12CDK7

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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