SCHEMBL21178785

SCHEMBL21178785

CC(C)(C)OC(=O)NC1CCC[C@@H]1Nc1ncc(C(F)(F)F)c(-c2c[nH]c3cc(C(Br)OCC[Si](C)(C)C)ccc23)n1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 17/20 0.47
▸ CDK12 Q9NYV4 17/20 0.47
▸ CCNT1 O60563 13/20 0.47
▸ CDK9 P50750 13/20 0.47
▸ CCNE1 P24864 13/20 0.47
▸ CDK2 P24941 13/20 0.47
▸ CDK7 P50613 14/20 0.45
▸ CCNH P51946 14/20 0.45
▸ MNAT1 P51948 13/20 0.45

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
SCHEMBL21178725 0.91 CCNK (0.46) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL21179289 0.87 CCNK (0.47) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL21184403 0.81 CCNK (0.52) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL21178764 0.81 CCNK (0.47) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL21184402 0.76 CCNK (0.66) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL21184299 0.75 CDK7 (0.40) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL21178258 0.75 CCNK (0.51) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25596528 0.74 CCNT1 (0.44) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24176487 0.73 CCNK (0.65) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL21184437 0.73 CCNK (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3740206-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2020-11-25 — — EP disclosed
WO-2019143730-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 — — WO disclosed
Send feedback