SCHEMBL25595354

SCHEMBL25595354

COC(=O)Nc1ccc2c(-c3nc(NNCC(C)C)ncc3C(F)(F)F)c[nH]c2c1Br

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 17/20 0.38
▸ CDK12 Q9NYV4 17/20 0.38
▸ CCNT1 O60563 16/20 0.38
▸ CDK9 P50750 16/20 0.38
▸ CCNE1 P24864 16/20 0.38
▸ CDK2 P24941 16/20 0.38
▸ CDK7 P50613 9/20 0.38
▸ CCNH P51946 9/20 0.38
▸ MNAT1 P51948 6/20 0.38

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
SCHEMBL25595093 0.87 CCNK (0.43) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25599058 0.83 CCNT1 (0.43) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25581442 0.82 CDK7 (0.39) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25593969 0.82 RXFP1 (0.40) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25583407 0.82 CCNK (0.37) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25583859 0.82 CLK1 (0.45) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25581445 0.82 CCNT1 (0.38) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25581444 0.81 CDK7 (0.44) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25591923 0.81 CDK7 (0.38) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25591446 0.81 CCNT1 (0.54) CCNKCDK12CCNT1CDK9CCNE1

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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