SCHEMBL25594512

SCHEMBL25594512

O=C1CCCN1c1ccc2c(-c3nc(NC4CCCNC4)ncc3C(F)(F)F)c[nH]c2c1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 19/20 0.78
▸ CDK12 Q9NYV4 19/20 0.78
▸ CDK7 P50613 9/20 0.78
▸ CCNH P51946 9/20 0.78
▸ MNAT1 P51948 7/20 0.78
▸ CCNE1 P24864 14/20 0.71
▸ CDK2 P24941 14/20 0.71
▸ CCNT1 O60563 13/20 0.71
▸ CDK9 P50750 13/20 0.71

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
SCHEMBL25591386 1.00 CCNK (0.78) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25591704 0.88 CCNK (0.76) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL24584360 0.88 CCNK (1.00) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL24589009 0.88 CCNK (1.00) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25594487 0.87 CDK7 (0.71) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25591313 0.87 CDK7 (0.71) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25591312 0.84 CCNK (0.66) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL24839846 0.83 CCNK (1.00) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL24839544 0.83 CCNK (1.00) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL30204015 0.82 CCNK (0.81) CCNKCDK12CDK7CCNHMNAT1

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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