SCHEMBL21184358

SCHEMBL21184358

CC(C)N1CCC(Nc2ncc(C(F)(F)F)c(-c3c[nH]c4cc(C#N)ccc34)n2)C1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 17/20 0.73
▸ CDK12 Q9NYV4 17/20 0.73
▸ CCNT1 O60563 8/20 0.73
▸ CCNE1 P24864 8/20 0.73
▸ CDK2 P24941 8/20 0.73
▸ CDK9 P50750 8/20 0.73
▸ CDK7 P50613 12/20 0.69
▸ CCNH P51946 12/20 0.69
▸ MNAT1 P51948 11/20 0.67

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
SCHEMBL21184353 1.00 CCNK (0.73) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21184581 0.90 CCNK (0.76) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21184348 0.85 CCNK (0.85) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24839710 0.85 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL28817263 0.82 CCNK (0.72) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL28817259 0.82 CCNK (0.72) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL25605311 0.81 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL29492550 0.81 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21184304 0.81 CCNK (0.73) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21184352 0.81 CCNK (0.79) CCNKCDK12CCNT1CCNE1CDK2

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
WO-2019143730-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 — — WO disclosed
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