SCHEMBL21178696

SCHEMBL21178696

Cc1nocc1-c1ccc2c(-c3nc(N[C@H]4CC[C@@](C)(Cc5ccccc5)N(C(=O)O)C4)ncc3C(F)(F)F)cn(S(=O)(=O)c3ccccc3)c2n1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 12/20 0.38
CCNH P51946 12/20 0.38
CCNK O75909 12/20 0.38
CDK12 Q9NYV4 12/20 0.38
CCNE1 P24864 12/20 0.38
CDK2 P24941 12/20 0.38
CCNT1 O60563 11/20 0.38
CDK9 P50750 11/20 0.38
MNAT1 P51948 9/20 0.38
MAPK3 P27361 1/20 0.33

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
SCHEMBL21178915 0.85 CDK7 (0.38) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL21178695 0.83 CDK7 (0.36) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL29509178 0.83 CDK7 (0.36) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL29872781 0.83 CDK7 (0.36) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL21178787 0.82 CCNK (0.37) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL21179249 0.81 CCNK (0.49) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL29509214 0.78 CDK7 (0.36) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL21178547 0.77 CDK7 (0.49) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL21184433 0.76 CDK7 (0.55) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL21184338 0.76 CDK7 (0.55) CDK7CCNHCCNKCDK12CCNE1

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