SCHEMBL25596998

SCHEMBL25596998

COC(=O)Nc1ccc2c(-c3nc(NC4CCCNC4)ncc3Br)c[nH]c2c1Br

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 15/20 0.59
▸ CDK12 Q9NYV4 15/20 0.59
▸ CCNT1 O60563 14/20 0.59
▸ CDK9 P50750 14/20 0.59
▸ CCNE1 P24864 12/20 0.59
▸ CDK2 P24941 12/20 0.59
▸ CDK7 P50613 11/20 0.54
▸ CCNH P51946 11/20 0.54
▸ MNAT1 P51948 10/20 0.54

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
SCHEMBL25597001 1.00 CCNK (0.59) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25597014 0.93 CCNK (0.58) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25597013 0.93 CCNK (0.58) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25591869 0.92 CCNT1 (0.65) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25597018 0.92 CCNK (0.64) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25597020 0.92 CCNK (0.64) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25597033 0.92 CDK7 (0.59) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25597029 0.92 CDK7 (0.59) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25584029 0.90 CCNT1 (0.67) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25594109 0.90 CCNT1 (0.67) CCNKCDK12CCNT1CDK9CCNE1

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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