SCHEMBL25595041

SCHEMBL25595041

O=CNc1ccc2c(-c3nc(NC4CCCCC4)ncc3C(F)(F)F)c[nH]c2c1Br

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 20/20 0.57
▸ CCNK O75909 20/20 0.57
▸ CDK9 P50750 20/20 0.57
▸ CDK12 Q9NYV4 20/20 0.57
▸ CDK7 P50613 8/20 0.57
▸ CCNH P51946 8/20 0.57
▸ MNAT1 P51948 4/20 0.57
▸ CCNE1 P24864 18/20 0.54
▸ CDK2 P24941 18/20 0.54

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
SCHEMBL25591446 0.85 CCNT1 (0.54) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL25583868 0.81 CLK1 (0.47) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL25581584 0.80 CCNT1 (0.76) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL25596899 0.80 CCNT1 (0.65) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL25595008 0.79 CDK7 (0.61) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL25591349 0.79 CCNT1 (0.69) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL25594415 0.79 CCNT1 (0.69) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL25581375 0.78 CCNT1 (0.53) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL25591348 0.78 CCNT1 (0.68) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL21184558 0.77 CCNK (0.60) 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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