SCHEMBL25595165

SCHEMBL25595165

COC(=O)Nc1ccc2c(-c3nc(NC4CCCC(O)C4)ncc3C(F)(F)F)c[nH]c2c1Br

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 19/20 0.51
▸ CDK12 Q9NYV4 19/20 0.51
▸ CCNT1 O60563 17/20 0.51
▸ CDK9 P50750 17/20 0.51
▸ CDK7 P50613 6/20 0.51
▸ CCNH P51946 6/20 0.51
▸ MNAT1 P51948 3/20 0.51
▸ CCNE1 P24864 16/20 0.50
▸ CDK2 P24941 16/20 0.50

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
SCHEMBL25591498 1.00 CCNK (0.51) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25595169 1.00 CCNK (0.51) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL26324656 0.92 CCNT1 (0.50) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25595033 0.92 CCNT1 (0.50) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL26324667 0.92 CCNT1 (0.50) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL26324666 0.92 CCNT1 (0.50) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25595069 0.92 CCNT1 (0.50) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25591446 0.92 CCNT1 (0.54) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25581446 0.90 CCNK (0.60) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25581449 0.90 CCNK (0.60) CCNKCDK12CCNT1CDK9CDK7

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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