SCHEMBL21179289

SCHEMBL21179289

Cc1noc(C)c1C(OCC[Si](C)(C)C)c1ccc2c(-c3nc(N[C@H]4CCCC4NC(=O)OC(C)(C)C)ncc3C(F)(F)F)c[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 18/20 0.47
▸ CDK12 Q9NYV4 18/20 0.47
▸ CCNT1 O60563 15/20 0.47
▸ CDK9 P50750 15/20 0.47
▸ CDK7 P50613 15/20 0.47
▸ CCNH P51946 15/20 0.47
▸ CCNE1 P24864 14/20 0.47
▸ CDK2 P24941 14/20 0.47
▸ MNAT1 P51948 11/20 0.41

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
SCHEMBL21178785 0.87 CCNK (0.47) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL21178725 0.86 CCNK (0.46) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL21178467 0.83 CCNK (0.44) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL21178764 0.81 CCNK (0.47) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL21184402 0.81 CCNK (0.66) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL21178200 0.80 CCNK (0.48) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL21178243 0.79 CCNK (0.45) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL24176487 0.78 CCNK (0.65) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL21184403 0.76 CCNK (0.52) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL24176469 0.76 CCNK (0.65) CCNKCDK12CCNT1CDK9CDK7

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
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