SCHEMBL25595069

SCHEMBL25595069

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

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 19/20 0.50
▸ CCNK O75909 19/20 0.50
▸ CDK9 P50750 19/20 0.50
▸ CDK12 Q9NYV4 19/20 0.50
▸ CDK7 P50613 6/20 0.50
▸ CCNH P51946 6/20 0.50
▸ MNAT1 P51948 3/20 0.50
▸ CCNE1 P24864 18/20 0.49
▸ CDK2 P24941 18/20 0.49

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
SCHEMBL25595033 1.00 CCNT1 (0.50) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL26324667 1.00 CCNT1 (0.50) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL26324656 1.00 CCNT1 (0.50) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL26324666 1.00 CCNT1 (0.50) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL26325033 0.96 CCNK (0.48) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL26325032 0.96 CCNK (0.48) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL26325089 0.96 CCNK (0.48) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL26325034 0.96 CCNK (0.48) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL25591498 0.92 CCNK (0.51) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL25595165 0.92 CCNK (0.51) CCNT1CCNKCDK9CDK12CDK7

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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