SCHEMBL25594425

SCHEMBL25594425

CC(=O)Nc1ccc2c(-c3nc(NC4CCCNC4)ncc3C(F)(F)F)c[nH]c2c1

nearest known ligand 0.83

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 19/20 0.83
▸ CDK12 Q9NYV4 19/20 0.83
▸ CCNE1 P24864 16/20 0.83
▸ CDK2 P24941 16/20 0.83
▸ CCNT1 O60563 16/20 0.83
▸ CDK9 P50750 16/20 0.83
▸ CDK7 P50613 11/20 0.76
▸ CCNH P51946 11/20 0.76
▸ MNAT1 P51948 9/20 0.76

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
SCHEMBL25591350 1.00 CCNK (0.83) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25591390 0.92 CCNK (0.78) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25591352 0.92 CCNK (0.76) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24839759 0.91 CCNK (1.00) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24839846 0.86 CCNK (1.00) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24839447 0.86 CCNK (1.00) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24839754 0.84 CCNK (1.00) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30439768 0.84 CCNK (1.00) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24839796 0.84 CCNK (1.00) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30204015 0.84 CCNK (0.81) CCNKCDK12CCNE1CDK2CCNT1

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
Send feedback