SCHEMBL21184403

SCHEMBL21184403

CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1Nc1ncc(C(F)(F)F)c(-c2c[nH]c3cc(Br)ccc23)n1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 16/20 0.52
▸ CDK12 Q9NYV4 16/20 0.52
▸ CCNT1 O60563 11/20 0.52
▸ CDK9 P50750 11/20 0.52
▸ CCNE1 P24864 11/20 0.52
▸ CDK2 P24941 11/20 0.52
▸ CDK7 P50613 13/20 0.51
▸ CCNH P51946 13/20 0.51
▸ MNAT1 P51948 12/20 0.51

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
SCHEMBL21184402 0.85 CCNK (0.66) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL21178785 0.81 CCNK (0.47) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25596528 0.80 CCNT1 (0.44) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25363867 0.79 CCNK (0.58) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30456086 0.79 CCNK (0.58) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL21184589 0.79 CCNK (0.64) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL21178725 0.78 CCNK (0.46) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30771921 0.78 CCNK (0.65) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24176469 0.78 CCNK (0.65) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL21184350 0.77 CCNK (0.72) 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
WO-2019143730-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 — — WO disclosed
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