SCHEMBL25596415

SCHEMBL25596415

CCOC(=O)Nc1ccc2c(-c3nc(NC4CCCN(C(=O)OC(C)(C)C)C4)ncc3C(F)(F)F)c[nH]c2c1Br

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 16/20 0.47
▸ CDK12 Q9NYV4 15/20 0.47
▸ CDK2 P24941 14/20 0.47
▸ CCNE1 P24864 11/20 0.47
▸ CCNT1 O60563 11/20 0.47
▸ CDK9 P50750 11/20 0.47
▸ CCNA2 P20248 1/20 0.46
▸ CDK13 Q14004 1/20 0.46
▸ CDK7 P50613 8/20 0.46
▸ CCNH P51946 8/20 0.46
▸ MNAT1 P51948 7/20 0.46
▸ JUN P05412 2/20 0.43
▸ MAPK8 P45983 2/20 0.43
▸ MAPK9 P45984 2/20 0.43
▸ MAPK10 P53779 2/20 0.43

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
SCHEMBL26323305 1.00 CCNK (0.47) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL25596475 0.94 CDK7 (0.47) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL25594065 0.94 CDK7 (0.47) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL26323323 0.93 CCNK (0.45) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL25594676 0.92 CDK7 (0.48) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL25594406 0.91 CDK7 (0.47) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL25596476 0.88 CDK7 (0.48) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL25595551 0.86 CDK7 (0.48) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL25596414 0.86 CCNK (0.49) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL26323306 0.86 CCNK (0.49) CCNKCDK12CDK2CCNE1CCNT1

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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