SCHEMBL21178458

SCHEMBL21178458

C[Si](C)(C)CCOC(/C(N)=N/O)c1ccc2c(-c3nc(N[C@H]4CCCN(C(=O)O)C4)ncc3C(F)(F)F)c[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 19/20 0.52
▸ CDK12 Q9NYV4 18/20 0.52
▸ CDK2 P24941 13/20 0.52
▸ CCNE1 P24864 12/20 0.52
▸ CDK7 P50613 10/20 0.52
▸ CCNH P51946 10/20 0.52
▸ MNAT1 P51948 10/20 0.52
▸ CCNT1 O60563 10/20 0.52
▸ CDK9 P50750 10/20 0.52
▸ CCNA2 P20248 1/20 0.47
▸ CDK13 Q14004 1/20 0.47

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
SCHEMBL21178469 0.89 CCNK (0.56) CCNKCDK12CDK2CCNE1CDK7
SCHEMBL25223856 0.79 CCNK (0.57) CCNKCDK12CDK2CCNE1CDK7
SCHEMBL26967465 0.79 CCNK (0.53) CCNKCDK12CDK2CCNE1CDK7
SCHEMBL21178250 0.79 CCNK (0.43) CCNKCDK12CDK2CCNE1CDK7
SCHEMBL25221977 0.78 CCNK (0.57) CCNKCDK12CDK2CCNE1CDK7
SCHEMBL25267992 0.77 CCNK (0.78) CCNKCDK12CDK2CCNE1CDK7
SCHEMBL25225790 0.77 CCNK (0.67) CCNKCDK12CDK2CCNE1CDK7
SCHEMBL26967490 0.77 CCNK (0.72) CCNKCDK12CDK2CCNE1CDK7
SCHEMBL25220110 0.77 CCNK (0.72) CCNKCDK12CDK2CCNE1CDK7
SCHEMBL21178244 0.76 CCNK (0.45) CCNKCDK12CDK2CCNE1CDK7

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-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
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