SCHEMBL25594743

SCHEMBL25594743

COC(=O)Nc1ccc2c(-c3nc(NC4CCCN(C(=O)OC(C)(C)C)C4)ncc3C(F)(F)F)c[nH]c2c1C1CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 6/20 0.47
▸ CCNH P51946 6/20 0.47
▸ MNAT1 P51948 5/20 0.47
▸ CCNK O75909 19/20 0.47
▸ CDK12 Q9NYV4 18/20 0.47
▸ CDK2 P24941 15/20 0.47
▸ CCNE1 P24864 14/20 0.47
▸ CCNT1 O60563 13/20 0.47
▸ CDK9 P50750 13/20 0.47
▸ CCNA2 P20248 1/20 0.46
▸ CDK13 Q14004 1/20 0.46

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
SCHEMBL25595551 0.92 CDK7 (0.48) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25596476 0.92 CDK7 (0.48) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25596475 0.92 CDK7 (0.47) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25594065 0.92 CDK7 (0.47) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25597342 0.92 CDK7 (0.47) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25596951 0.90 CDK7 (0.46) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL26323348 0.90 CDK7 (0.46) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25596665 0.90 CCNK (0.48) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL26323349 0.90 CDK7 (0.46) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25596950 0.90 CDK7 (0.46) 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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