SCHEMBL25597029

SCHEMBL25597029

COC(=O)Nc1ccc2c(-c3nc(NC4CCCNC4)ncc3C(C)C)c[nH]c2c1Br

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 14/20 0.59
▸ CCNH P51946 14/20 0.59
▸ MNAT1 P51948 14/20 0.59
▸ CCNK O75909 10/20 0.52
▸ CDK12 Q9NYV4 10/20 0.52
▸ CCNT1 O60563 9/20 0.52
▸ CDK9 P50750 9/20 0.52
▸ CCNE1 P24864 7/20 0.52
▸ CDK2 P24941 7/20 0.52

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
SCHEMBL25597033 1.00 CDK7 (0.59) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25597001 0.92 CCNK (0.59) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25596998 0.92 CCNK (0.59) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25597014 0.91 CCNK (0.58) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25597013 0.91 CCNK (0.58) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25597020 0.90 CCNK (0.64) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25591869 0.90 CCNT1 (0.65) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25597018 0.90 CCNK (0.64) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25594066 0.88 CCNT1 (0.67) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25594109 0.88 CCNT1 (0.67) CDK7CCNHMNAT1CCNKCDK12

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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