SCHEMBL25594623

SCHEMBL25594623

COC(=O)Nc1ccc2c(-c3nc(NC4CCCN(C(=O)OC(C)(C)C)C4)ncc3C(F)(F)F)c[nH]c2c1P(C)(C)=O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 18/20 0.48
▸ CDK12 Q9NYV4 17/20 0.48
▸ CDK2 P24941 15/20 0.48
▸ CCNE1 P24864 14/20 0.48
▸ CCNT1 O60563 13/20 0.48
▸ CDK9 P50750 13/20 0.48
▸ CDK7 P50613 11/20 0.48
▸ CCNH P51946 11/20 0.48
▸ MNAT1 P51948 8/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CCNA2 P20248 1/20 0.45
▸ CDK13 Q14004 1/20 0.45

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
SCHEMBL25594677 0.94 CCNK (0.49) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL25596476 0.91 CDK7 (0.48) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL25595551 0.91 CDK7 (0.48) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL25597342 0.90 CDK7 (0.47) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL25594065 0.90 CDK7 (0.47) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL25596475 0.90 CDK7 (0.47) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL25594743 0.90 CDK7 (0.47) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL25594622 0.90 CCNK (0.52) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL26323348 0.89 CDK7 (0.46) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL25596951 0.89 CDK7 (0.46) 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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