SCHEMBL21178764

SCHEMBL21178764

C[Si](C)(C)CCOC(c1ccc2c(-c3nc(N[C@H]4CCCC4NC(=O)O)ncc3C(F)(F)F)c[nH]c2c1)c1nccs1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 19/20 0.47
▸ CDK12 Q9NYV4 19/20 0.47
▸ CCNE1 P24864 16/20 0.47
▸ CDK2 P24941 16/20 0.47
▸ CCNT1 O60563 15/20 0.47
▸ CDK9 P50750 15/20 0.47
▸ CDK7 P50613 11/20 0.46
▸ CCNH P51946 11/20 0.46
▸ MNAT1 P51948 9/20 0.46

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
SCHEMBL21178451 0.81 CDK7 (0.49) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21179289 0.81 CCNK (0.47) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178204 0.81 CCNK (0.47) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178785 0.81 CCNK (0.47) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178522 0.80 CDK7 (0.53) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178725 0.79 CCNK (0.46) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178186 0.77 CCNK (0.42) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178469 0.72 CCNK (0.56) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24176251 0.71 CCNK (0.73) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21184494 0.70 CCNK (0.70) CCNKCDK12CCNE1CDK2CCNT1

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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