SCHEMBL25596604

SCHEMBL25596604

COC(=O)Nc1ccc2c(-c3nc(NC4CCCC4)ncc3C(F)(F)F)c[nH]c2c1Cl

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 19/20 0.56
▸ CDK12 Q9NYV4 19/20 0.56
▸ CCNT1 O60563 18/20 0.56
▸ CDK9 P50750 18/20 0.56
▸ CCNE1 P24864 16/20 0.56
▸ CDK2 P24941 16/20 0.56
▸ CDK7 P50613 8/20 0.51
▸ CCNH P51946 8/20 0.51
▸ MNAT1 P51948 5/20 0.51

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
SCHEMBL25591990 0.92 CCNT1 (0.67) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25597041 0.92 CCNT1 (0.67) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25597240 0.92 CDK7 (0.60) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25596618 0.90 CCNT1 (0.53) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25591446 0.90 CCNT1 (0.54) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25597175 0.89 CCNK (0.52) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25599885 0.89 CCNK (0.52) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25597182 0.89 CCNK (0.52) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25597206 0.89 CCNK (0.52) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25597215 0.89 CCNK (0.48) 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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