SCHEMBL25580804

SCHEMBL25580804

CNCCNc1ncc(C(F)(F)F)c(-c2c[nH]c3c(NC(=O)OC)cccc23)n1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 16/20 0.47
▸ CDK2 P24941 16/20 0.47
▸ CCNK O75909 16/20 0.47
▸ CDK12 Q9NYV4 16/20 0.47
▸ CCNT1 O60563 15/20 0.47
▸ CDK9 P50750 15/20 0.47
▸ CDK7 P50613 8/20 0.44
▸ CCNH P51946 8/20 0.44
▸ MNAT1 P51948 6/20 0.44
▸ JAK1 P23458 1/20 0.41

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
SCHEMBL25580809 0.90 JAK1 (0.46) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL25581352 0.90 CCNE1 (0.41) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL25580806 0.88 JAK1 (0.45) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL25581286 0.88 LCK (0.47) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL25580838 0.86 CDK7 (0.45) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL25580830 0.86 CCNT1 (0.44) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL25580824 0.85 CDK7 (0.51) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL25581291 0.84 CLK1 (0.49) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL25580832 0.84 CCNT1 (0.51) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL25580553 0.83 BTK (0.46) CCNE1CDK2CCNKCDK12CCNT1

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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