SCHEMBL25594182

SCHEMBL25594182

COC(=O)Nc1ccc2c(-c3nc(NC4CCC(C)NC4)ncc3C(F)(F)F)c[nH]c2c1Br

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 18/20 0.51
▸ CDK12 Q9NYV4 18/20 0.51
▸ CCNT1 O60563 16/20 0.51
▸ CDK9 P50750 16/20 0.51
▸ CCNE1 P24864 16/20 0.51
▸ CDK2 P24941 16/20 0.51
▸ CDK7 P50613 10/20 0.51
▸ CCNH P51946 10/20 0.51
▸ MNAT1 P51948 7/20 0.51

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
SCHEMBL25592420 1.00 CCNK (0.51) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25594184 1.00 CCNK (0.51) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25595654 0.92 CCNK (0.51) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL26326124 0.92 CCNK (0.51) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25592734 0.92 CCNK (0.51) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25596034 0.92 CCNK (0.51) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25597175 0.91 CCNK (0.52) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25597182 0.91 CCNK (0.52) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25599885 0.91 CCNK (0.52) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25597199 0.91 CCNK (0.52) 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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