SCHEMBL28817260

SCHEMBL28817260

CC(C)N1CCC(Nc2ncc(C(F)(F)F)c(-c3c[nH]c4c(P(C)(C)=O)c(C#N)ccc34)n2)CC1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 14/20 0.71
▸ CDK12 Q9NYV4 14/20 0.71
▸ CCNT1 O60563 13/20 0.71
▸ CCNE1 P24864 13/20 0.71
▸ CDK2 P24941 13/20 0.71
▸ CDK9 P50750 13/20 0.71
▸ CDK7 P50613 13/20 0.71
▸ CCNH P51946 13/20 0.71
▸ MNAT1 P51948 9/20 0.71
▸ CYP2D6 P10635 1/20 0.71
▸ MAP2K5 Q13163 1/20 0.48

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
SCHEMBL30006629 1.00 CCNK (0.71) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21184374 0.90 CCNK (0.78) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL30006346 0.88 CDK7 (0.75) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL28817270 0.88 CDK7 (0.75) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL28817255 0.86 CCNK (0.69) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL28817264 0.86 CCNK (0.69) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL28817277 0.86 CCNK (0.79) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL30006554 0.86 CCNK (0.79) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL29492545 0.86 CCNK (0.74) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL25593609 0.86 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
CN-114907407-A Inhibitors of cyclin dependent kinase 7(CDK7) 江苏先声药业有限公司 2022-08-16 — — CN disclosed
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