SCHEMBL25581366

SCHEMBL25581366

COC(=O)Nc1ccc2c(-c3nc(NCC4CCNCC4)ncc3C(F)(F)F)c[nH]c2c1Br

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 14/20 0.44
▸ CCNK O75909 14/20 0.44
▸ CDK9 P50750 14/20 0.44
▸ CDK12 Q9NYV4 14/20 0.44
▸ CDK7 P50613 5/20 0.44
▸ CCNH P51946 5/20 0.44
▸ MNAT1 P51948 2/20 0.44
▸ CCNE1 P24864 13/20 0.44
▸ CDK2 P24941 13/20 0.44
▸ FLT3 P36888 5/20 0.42

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
SCHEMBL25581372 0.96 CCNK (0.47) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL25581373 0.96 CCNK (0.47) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL25581444 0.92 CDK7 (0.44) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL25580832 0.90 CCNT1 (0.51) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL25581370 0.89 CCNK (0.45) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL25581371 0.89 CCNK (0.45) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL25581375 0.89 CCNT1 (0.53) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL25583399 0.88 CCNT1 (0.48) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL25581369 0.88 CDK7 (0.40) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL25583408 0.88 CCNK (0.42) CCNT1CCNKCDK9CDK12CDK7

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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