SCHEMBL25594481

SCHEMBL25594481

O=C1CCCCN1c1ccc2c(-c3nc(NC4CCCNC4)ncc3C(F)(F)F)c[nH]c2c1Br

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 20/20 0.65
▸ CDK12 Q9NYV4 20/20 0.65
▸ CCNT1 O60563 18/20 0.65
▸ CDK9 P50750 18/20 0.65
▸ CDK7 P50613 9/20 0.65
▸ CCNH P51946 9/20 0.65
▸ MNAT1 P51948 7/20 0.65
▸ CCNE1 P24864 16/20 0.64
▸ CDK2 P24941 16/20 0.64

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
SCHEMBL25591311 1.00 CCNK (0.65) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25591312 0.98 CCNK (0.66) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25591393 0.96 CCNK (0.67) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25594521 0.96 CCNK (0.67) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25591657 0.94 CCNK (0.60) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25594539 0.94 CCNK (0.60) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25594505 0.89 CCNT1 (0.65) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25591315 0.89 CCNT1 (0.65) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25591353 0.88 CCNK (0.64) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25594430 0.88 CCNK (0.64) CCNKCDK12CCNT1CDK9CDK7

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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