SCHEMBL25597846

SCHEMBL25597846

N#Cc1ccc2c(-c3nc(NC4CCCNC4)ncc3C(F)(F)F)c[nH]c2c1P1CCCC1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 19/20 0.79
▸ CDK12 Q9NYV4 19/20 0.79
▸ CCNT1 O60563 17/20 0.79
▸ CDK9 P50750 17/20 0.79
▸ CCNE1 P24864 15/20 0.79
▸ CDK2 P24941 15/20 0.79
▸ CDK7 P50613 10/20 0.75
▸ CCNH P51946 10/20 0.75
▸ MNAT1 P51948 7/20 0.71

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
SCHEMBL30204442 0.88 CCNK (1.00) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24839376 0.88 CCNK (1.00) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25597608 0.87 CCNK (0.75) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24839829 0.86 CCNK (1.00) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24839783 0.86 CCNK (1.00) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL26738531 0.85 CCNK (0.80) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24588249 0.84 CCNK (0.80) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25593281 0.84 CCNK (0.77) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30260995 0.83 CCNT1 (0.95) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30439811 0.83 CCNK (1.00) 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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