SCHEMBL25595346

SCHEMBL25595346

CNc1ccc2c(-c3nc(NC4CC5CNCC5C4)ncc3C(F)(F)F)c[nH]c2c1Br

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 18/20 0.55
▸ CDK12 Q9NYV4 18/20 0.55
▸ CCNT1 O60563 16/20 0.55
▸ CDK9 P50750 16/20 0.55
▸ CDK7 P50613 9/20 0.55
▸ CCNH P51946 9/20 0.55
▸ MNAT1 P51948 6/20 0.55
▸ CCNE1 P24864 16/20 0.53
▸ CDK2 P24941 16/20 0.53

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
SCHEMBL25591497 0.88 CCNK (0.50) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25583399 0.79 CCNT1 (0.48) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25581446 0.79 CCNK (0.60) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25581449 0.79 CCNK (0.60) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL26325917 0.78 CDK7 (0.47) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL26325916 0.78 CDK7 (0.47) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25592416 0.78 CDK7 (0.47) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25599634 0.78 CDK7 (0.47) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25595041 0.76 CCNT1 (0.57) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25591347 0.76 CCNT1 (0.76) 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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