SCHEMBL21179231

SCHEMBL21179231

CC(C)(C)OC(=O)N1CCC[C@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4cc(Br)c(F)cc34)n2)C1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 19/20 0.54
▸ CDK12 Q9NYV4 18/20 0.54
▸ CDK2 P24941 14/20 0.54
▸ CCNE1 P24864 13/20 0.54
▸ CCNT1 O60563 11/20 0.54
▸ CDK9 P50750 11/20 0.54
▸ CDK7 P50613 7/20 0.53
▸ CCNH P51946 7/20 0.53
▸ MNAT1 P51948 7/20 0.53
▸ CCNA2 P20248 1/20 0.48
▸ CDK13 Q14004 1/20 0.48

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
SCHEMBL29509346 1.00 CCNK (0.54) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL21178843 0.90 CCNK (0.59) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL21188565 0.87 CCNK (0.54) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL25597338 0.86 CDK7 (0.59) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL30439510 0.86 CCNK (0.67) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL21178767 0.86 CCNK (0.67) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL25595573 0.86 CCNK (0.67) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL25593060 0.85 CDK2 (0.60) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL30204027 0.85 CCNK (0.72) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL30204021 0.85 CCNK (0.62) CCNKCDK12CDK2CCNE1CCNT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3740207-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2020-11-25 — — EP disclosed
WO-2019143719-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 — — WO disclosed
WO-2019143719-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 — — WO disclosed
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