SCHEMBL21179257

SCHEMBL21179257

COC1CCN(C(=O)O)C(C(C)(C)C)C1Nc1ncc(C(F)(F)F)c(-c2cn(S(=O)(=O)c3ccccc3)c3nc(-c4c(C)noc4C)ccc23)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 10/20 0.40
CCNH P51946 10/20 0.40
CCNK O75909 8/20 0.40
CDK12 Q9NYV4 8/20 0.40
CCNE1 P24864 7/20 0.40
CDK2 P24941 7/20 0.40
CCNT1 O60563 6/20 0.40
CDK9 P50750 6/20 0.40
BRD4 O60885 7/20 0.34
MNAT1 P51948 6/20 0.34
EGFR P00533 1/20 0.31

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
SCHEMBL24176284 0.84 CDK7 (0.46) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL29509247 0.84 CCNK (0.40) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL21179254 0.84 CCNK (0.40) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL21178547 0.83 CDK7 (0.49) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL21179067 0.83 CDK7 (0.46) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL21178624 0.83 CDK7 (0.46) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL21184433 0.82 CDK7 (0.55) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL21184338 0.82 CDK7 (0.55) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL24176336 0.82 CDK7 (0.46) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL30771937 0.82 CDK7 (0.46) 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