SCHEMBL25597569

SCHEMBL25597569

CP(C)c1c(C#N)ccc2c(-c3nc(NC4CCC(C)(C)NC4)ncc3C(F)(F)F)c[nH]c12

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 19/20 0.77
▸ CDK12 Q9NYV4 19/20 0.77
▸ CCNT1 O60563 15/20 0.77
▸ CDK9 P50750 15/20 0.77
▸ CCNE1 P24864 14/20 0.77
▸ CDK2 P24941 14/20 0.77
▸ CDK7 P50613 13/20 0.77
▸ CCNH P51946 13/20 0.77
▸ MNAT1 P51948 9/20 0.77
▸ CYP2D6 P10635 1/20 0.77

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
SCHEMBL22076294 0.89 CCNK (0.79) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL22076296 0.89 CCNK (0.79) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL21184439 0.88 CCNK (0.67) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25593057 0.87 CCNK (0.76) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24308148 0.87 CCNK (0.86) CCNKCDK12CCNT1CDK9CCNE1
Sy-5609 SCHEMBL22076284 0.87 CDK7 (1.00) CCNKCDK12CCNT1CDK9CCNE1
Sy-5609 SCHEMBL29855824 0.87 CDK7 (1.00) CCNKCDK12CCNT1CDK9CCNE1
Sy-5609 SCHEMBL22076285 0.87 CDK7 (1.00) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25597608 0.87 CCNK (0.75) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24308299 0.87 CCNK (0.77) 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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