SCHEMBL25599058

SCHEMBL25599058

COC(=O)Nc1ccc2c(-c3nc(N[SiH]4CCCC4)ncc3C(F)(F)F)c[nH]c2c1Br

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 18/20 0.43
▸ CCNK O75909 18/20 0.43
▸ CDK9 P50750 18/20 0.43
▸ CDK12 Q9NYV4 18/20 0.43
▸ CDK7 P50613 7/20 0.43
▸ CCNH P51946 7/20 0.43
▸ MNAT1 P51948 4/20 0.43
▸ CCNE1 P24864 17/20 0.42
▸ CDK2 P24941 17/20 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
SCHEMBL25592347 0.90 CCNT1 (0.42) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL25595093 0.87 CCNK (0.43) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL25591446 0.85 CCNT1 (0.54) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL25591710 0.84 CCNK (0.41) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL26325865 0.83 CCNT1 (0.48) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL25595354 0.83 CCNK (0.38) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL25593969 0.83 RXFP1 (0.40) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL25583407 0.83 CCNK (0.37) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL25583859 0.83 CLK1 (0.45) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL26324669 0.83 CCNK (0.48) 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
EP-4186895-A1 COMPOUND USEFUL AS CDK7 KINASE INHIBITOR AND USE THEREOF TYK Medicines Inc. (CN) 2023-05-31 — — EP disclosed
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