SCHEMBL25597018

SCHEMBL25597018

CCc1cnc(NC2CCCNC2)nc1-c1c[nH]c2c(Br)c(NC(=O)OC)ccc12

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 12/20 0.64
▸ CDK12 Q9NYV4 12/20 0.64
▸ CCNT1 O60563 11/20 0.64
▸ CDK9 P50750 11/20 0.64
▸ CCNE1 P24864 9/20 0.64
▸ CDK2 P24941 9/20 0.64
▸ CDK7 P50613 15/20 0.62
▸ CCNH P51946 15/20 0.62
▸ MNAT1 P51948 14/20 0.62

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
SCHEMBL25597020 1.00 CCNK (0.64) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25597001 0.92 CCNK (0.59) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25596998 0.92 CCNK (0.59) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25597013 0.92 CCNK (0.58) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25597014 0.92 CCNK (0.58) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25591869 0.91 CCNT1 (0.65) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25597033 0.90 CDK7 (0.59) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25597029 0.90 CDK7 (0.59) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25594066 0.89 CCNT1 (0.67) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25584029 0.89 CCNT1 (0.67) 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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