SCHEMBL25581445

SCHEMBL25581445

COC(=O)Nc1ccc2c(-c3nc(NCc4ncc[nH]4)ncc3C(F)(F)F)c[nH]c2c1Br

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 15/20 0.38
▸ CDK9 P50750 15/20 0.38
▸ CCNK O75909 15/20 0.38
▸ CDK12 Q9NYV4 15/20 0.38
▸ CCNE1 P24864 15/20 0.38
▸ CDK2 P24941 15/20 0.38
▸ CDK7 P50613 9/20 0.38
▸ CCNH P51946 9/20 0.38
▸ MNAT1 P51948 6/20 0.38
▸ CD38 P28907 1/20 0.35

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 0.91 CCNE1 (0.38) CCNT1CDK9CCNKCDK12CCNE1
SCHEMBL25580830 0.90 CCNT1 (0.44) CCNT1CDK9CCNKCDK12CCNE1
SCHEMBL25581442 0.87 CDK7 (0.39) CCNT1CDK9CCNKCDK12CCNE1
SCHEMBL25595093 0.86 CCNK (0.43) CCNT1CDK9CCNKCDK12CCNE1
SCHEMBL25581443 0.85 LCK (0.41) CCNT1CDK9CCNKCDK12CCNE1
SCHEMBL25581444 0.84 CDK7 (0.44) CCNT1CDK9CCNKCDK12CCNE1
SCHEMBL25581366 0.82 CCNT1 (0.44) CCNT1CDK9CCNKCDK12CCNE1
SCHEMBL25595354 0.82 CCNK (0.38) CCNT1CDK9CCNKCDK12CCNE1
SCHEMBL25583407 0.82 CCNK (0.37) CCNT1CDK9CCNKCDK12CCNE1
SCHEMBL25583859 0.82 CLK1 (0.45) CCNT1CDK9CCNKCDK12CCNE1

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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