SCHEMBL25596340

SCHEMBL25596340

CCOC(=O)Nc1ccc2c(-c3nc(NC4CCCNC4)ncc3C(F)(F)F)c[nH]c2c1Br

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 8/20 0.64
▸ CCNH P51946 8/20 0.64
▸ MNAT1 P51948 6/20 0.64
▸ CCNK O75909 17/20 0.63
▸ CDK12 Q9NYV4 17/20 0.63
▸ CCNT1 O60563 17/20 0.63
▸ CDK9 P50750 17/20 0.63
▸ CCNE1 P24864 16/20 0.63
▸ CDK2 P24941 16/20 0.63

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
SCHEMBL25591588 1.00 CDK7 (0.64) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25596442 0.94 CCNK (0.62) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25591655 0.94 CCNK (0.62) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25594109 0.93 CCNT1 (0.67) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25584029 0.93 CCNT1 (0.67) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25594066 0.93 CCNT1 (0.67) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25596677 0.93 CCNK (0.62) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25594915 0.91 CDK7 (0.63) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25594909 0.91 CDK7 (0.63) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25585135 0.91 CCNT1 (0.73) CDK7CCNHMNAT1CCNKCDK12

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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