SCHEMBL21178451

SCHEMBL21178451

CC1(C)C[C@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4cc(C(OCC[Si](C)(C)C)c5nccs5)ccc34)n2)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 9/20 0.49
▸ CCNH P51946 9/20 0.49
▸ MNAT1 P51948 8/20 0.49
▸ CCNK O75909 19/20 0.44
▸ CDK12 Q9NYV4 19/20 0.44
▸ CCNE1 P24864 13/20 0.43
▸ CDK2 P24941 13/20 0.43
▸ CCNT1 O60563 11/20 0.43
▸ CDK9 P50750 11/20 0.43

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
SCHEMBL21178522 0.86 CDK7 (0.53) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL21178764 0.81 CCNK (0.47) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL30204204 0.80 CDK7 (0.73) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL21178204 0.79 CCNK (0.47) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL24087458 0.78 CDK7 (0.47) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL29509086 0.78 CDK7 (0.47) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL21178467 0.78 CCNK (0.44) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL21178186 0.75 CCNK (0.42) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL21178456 0.74 CDK7 (0.57) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL30204047 0.71 CCNK (0.51) CDK7CCNHMNAT1CCNKCDK12

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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