SCHEMBL25596899

SCHEMBL25596899

CC(C)c1c(NC=O)ccc2c(-c3nc(NC4CCCNC4)ncc3C(F)(F)F)c[nH]c12

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 20/20 0.65
▸ CCNK O75909 20/20 0.65
▸ CDK9 P50750 20/20 0.65
▸ CDK12 Q9NYV4 20/20 0.65
▸ CCNE1 P24864 17/20 0.65
▸ CDK2 P24941 17/20 0.65
▸ CDK7 P50613 9/20 0.63
▸ CCNH P51946 9/20 0.63
▸ MNAT1 P51948 6/20 0.63

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
SCHEMBL25596803 0.88 CCNT1 (0.68) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25591867 0.88 CCNT1 (0.63) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25581584 0.88 CCNT1 (0.76) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL26325635 0.83 CCNT1 (0.63) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL26323085 0.82 CCNT1 (0.63) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25594210 0.82 CCNT1 (0.63) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25595518 0.81 CCNT1 (0.66) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25595516 0.81 CCNT1 (0.66) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25594546 0.80 CCNT1 (0.69) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25595041 0.80 CCNT1 (0.57) CCNT1CCNKCDK9CDK12CCNE1

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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