SCHEMBL25580830

SCHEMBL25580830

COC(=O)Nc1cccc2c(-c3nc(NCc4ncc[nH]4)ncc3C(F)(F)F)c[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 16/20 0.44
▸ CCNK O75909 16/20 0.44
▸ CDK9 P50750 16/20 0.44
▸ CDK12 Q9NYV4 16/20 0.44
▸ CCNE1 P24864 14/20 0.44
▸ CDK2 P24941 14/20 0.44
▸ CDK7 P50613 7/20 0.43
▸ CCNH P51946 7/20 0.43
▸ MNAT1 P51948 5/20 0.43
▸ CD38 P28907 1/20 0.41
▸ JAK1 P23458 1/20 0.40

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
SCHEMBL25581358 0.90 CCNE1 (0.38) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25581445 0.90 CCNT1 (0.38) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25580838 0.86 CDK7 (0.45) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25580809 0.86 JAK1 (0.46) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25580804 0.86 CCNE1 (0.47) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25580806 0.85 JAK1 (0.45) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25581286 0.84 LCK (0.47) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25580824 0.83 CDK7 (0.51) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25581291 0.82 CLK1 (0.49) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25580832 0.82 CCNT1 (0.51) 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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