SCHEMBL25594747

SCHEMBL25594747

CNc1ccc2c(-c3nc(NC4CCCNC4)ncc3C(F)(F)F)c[nH]c2c1-c1cnn(C)c1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 20/20 0.77
▸ CDK12 Q9NYV4 20/20 0.77
▸ CCNT1 O60563 19/20 0.77
▸ CDK9 P50750 19/20 0.77
▸ CDK7 P50613 7/20 0.77
▸ CCNH P51946 7/20 0.77
▸ MNAT1 P51948 6/20 0.77
▸ CCNE1 P24864 16/20 0.72
▸ CDK2 P24941 16/20 0.72

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
SCHEMBL25591866 0.90 CCNK (0.72) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL24840741 0.87 CCNK (1.00) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL24839365 0.84 CCNK (1.00) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25594546 0.83 CCNT1 (0.69) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25596018 0.82 CCNT1 (0.67) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL24839364 0.82 CCNK (1.00) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25591782 0.80 CCNT1 (0.65) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL31666667 0.80 CCNK (0.70) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL30927751 0.80 CCNK (0.70) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25594753 0.80 CCNT1 (0.64) CCNKCDK12CCNT1CDK9CDK7

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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