SCHEMBL25602824

SCHEMBL25602824

C[C@]1(N)CC[C@@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4ccccc34)n2)CC1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 15/20 0.77
▸ CCNH P51946 15/20 0.77
▸ CCNK O75909 14/20 0.77
▸ CDK12 Q9NYV4 14/20 0.77
▸ CCNE1 P24864 14/20 0.77
▸ CDK2 P24941 14/20 0.77
▸ CCNT1 O60563 12/20 0.77
▸ CDK9 P50750 12/20 0.77
▸ MNAT1 P51948 13/20 0.70

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
SCHEMBL17150616 0.89 CDK7 (0.70) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL22115126 0.87 CDK7 (1.00) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL29498451 0.87 CDK7 (1.00) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL25602821 0.87 CCNE1 (0.72) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL24840707 0.84 CCNK (1.00) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL25602843 0.84 CCNK (0.68) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL30456603 0.83 CCNK (0.69) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL24839622 0.82 CCNK (1.00) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL25329325 0.82 CDK7 (0.89) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL25329327 0.82 CDK7 (0.89) CDK7CCNHCCNKCDK12CCNE1

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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