SCHEMBL25592416

SCHEMBL25592416

COC(=O)Nc1ccc2c(-c3nc(NC4CN[C@H]5CC5C4)ncc3C(F)(F)F)c[nH]c2c1Br

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 10/20 0.47
▸ CCNH P51946 10/20 0.47
▸ MNAT1 P51948 8/20 0.47
▸ CCNK O75909 17/20 0.47
▸ CDK12 Q9NYV4 17/20 0.47
▸ CCNE1 P24864 15/20 0.47
▸ CDK2 P24941 15/20 0.47
▸ CCNT1 O60563 14/20 0.47
▸ CDK9 P50750 14/20 0.47

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
SCHEMBL26325917 1.00 CDK7 (0.47) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25599634 1.00 CDK7 (0.47) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL26325916 1.00 CDK7 (0.47) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL26330259 0.91 CCNK (0.48) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25592421 0.91 CCNK (0.48) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25591497 0.90 CCNK (0.50) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25581446 0.88 CCNK (0.60) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25594182 0.88 CCNK (0.51) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25592420 0.88 CCNK (0.51) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25594184 0.88 CCNK (0.51) 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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