SCHEMBL25596591

SCHEMBL25596591

C/N=C\C1CCC[C@@H]1Nc1ncc(C(F)(F)F)c(-c2c[nH]c3c(Br)c(NC(=O)OC)ccc23)n1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 19/20 0.43
▸ CCNK O75909 19/20 0.43
▸ CDK9 P50750 19/20 0.43
▸ CDK12 Q9NYV4 19/20 0.43
▸ CCNE1 P24864 18/20 0.43
▸ CDK2 P24941 18/20 0.43
▸ CDK7 P50613 6/20 0.43
▸ CCNH P51946 6/20 0.43
▸ MNAT1 P51948 3/20 0.43

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
SCHEMBL26325865 0.89 CCNT1 (0.48) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL26325090 0.88 CCNT1 (0.46) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL26323313 0.88 CCNT1 (0.46) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL26325091 0.88 CCNT1 (0.46) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL26325245 0.88 CCNT1 (0.46) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL26325827 0.87 CCNK (0.45) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25596528 0.86 CCNT1 (0.44) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25591446 0.85 CCNT1 (0.54) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25591498 0.83 CCNK (0.51) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25595165 0.83 CCNK (0.51) 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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