SCHEMBL25581293

SCHEMBL25581293

COC(=O)Nc1cccc2c(-c3nc(N[C@H]4CCC[C@H](CN(C)C)C4)ncc3C(F)(F)F)c[nH]c12

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 18/20 0.54
▸ CCNK O75909 18/20 0.54
▸ CDK9 P50750 18/20 0.54
▸ CDK12 Q9NYV4 18/20 0.54
▸ CCNE1 P24864 15/20 0.54
▸ CDK2 P24941 15/20 0.54
▸ CDK7 P50613 8/20 0.52
▸ CCNH P51946 8/20 0.52
▸ MNAT1 P51948 6/20 0.52

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
SCHEMBL25581294 1.00 CCNT1 (0.54) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25580517 0.84 CCNT1 (0.74) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25580840 0.84 CCNT1 (0.60) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25581295 0.84 CCNK (0.47) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25581296 0.84 CCNK (0.47) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25581300 0.84 CCNK (0.47) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25581298 0.84 CCNK (0.47) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25580822 0.84 CCNT1 (0.57) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25581054 0.84 CCNT1 (0.57) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25580809 0.80 JAK1 (0.46) CCNT1CCNKCDK9CDK12CCNE1

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-2023078451-A1 COMPOUND USED AS CDK7 KINASE INHIBITOR AND USE THEREOF 浙江同源康医药股份有限公司 2023-05-11 — — WO disclosed
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