SCHEMBL28817259

SCHEMBL28817259

N#Cc1ccc2c(-c3nc(N[C@H]4CCCCN(C(=O)O)C4)ncc3C(F)(F)F)c[nH]c2c1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 18/20 0.72
▸ CDK12 Q9NYV4 18/20 0.72
▸ CCNE1 P24864 8/20 0.72
▸ CDK2 P24941 8/20 0.72
▸ CCNT1 O60563 7/20 0.72
▸ CDK9 P50750 7/20 0.72
▸ CDK7 P50613 12/20 0.69
▸ CCNH P51946 12/20 0.69
▸ MNAT1 P51948 11/20 0.63

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
SCHEMBL28817263 1.00 CCNK (0.72) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL28817274 0.90 CCNK (0.69) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL28817275 0.90 CCNK (0.69) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25267992 0.87 CCNK (0.78) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21184348 0.86 CCNK (0.85) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25225790 0.85 CCNK (0.67) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL26967500 0.85 CDK7 (0.72) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL26967529 0.84 CDK2 (0.70) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25218331 0.84 CCNK (0.74) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21184581 0.84 CCNK (0.76) 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
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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