SCHEMBL25599002

SCHEMBL25599002

CC(C)OC(=O)Nc1ccc2c(-c3nc(NC4CCCNC4)ncc3C(F)(F)F)c[nH]c2c1Br

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 19/20 0.63
▸ CCNK O75909 19/20 0.63
▸ CDK9 P50750 19/20 0.63
▸ CDK12 Q9NYV4 19/20 0.63
▸ CDK7 P50613 7/20 0.63
▸ CCNH P51946 7/20 0.63
▸ MNAT1 P51948 4/20 0.63
▸ CCNE1 P24864 18/20 0.62
▸ CDK2 P24941 18/20 0.62

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
SCHEMBL25591654 1.00 CCNT1 (0.63) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL25594109 0.93 CCNT1 (0.67) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL25594066 0.93 CCNT1 (0.67) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL25584029 0.93 CCNT1 (0.67) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL25596340 0.90 CDK7 (0.64) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL25591588 0.90 CDK7 (0.64) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL25594415 0.90 CCNT1 (0.69) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL25591349 0.90 CCNT1 (0.69) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL25591655 0.89 CCNK (0.62) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL25596442 0.89 CCNK (0.62) 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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