SCHEMBL21178790

SCHEMBL21178790

O=C(O)[C@@H]1C[C@H](Nc2ncc(C(F)(F)F)c(-c3cn(S(=O)(=O)c4ccccc4)c4nc(-c5nccs5)ccc34)n2)CN(C(=O)O)C1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNK O75909 12/20 0.38
CDK12 Q9NYV4 12/20 0.38
CCNE1 P24864 11/20 0.38
CDK2 P24941 11/20 0.38
CCNT1 O60563 8/20 0.38
CDK9 P50750 8/20 0.38
CDK7 P50613 13/20 0.36
CCNH P51946 13/20 0.36
MNAT1 P51948 13/20 0.36
MAPK3 P27361 1/20 0.34

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
SCHEMBL29509335 0.88 CDK7 (0.36) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL29509127 0.83 CDK7 (0.41) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178237 0.77 HTR6 (0.33) CDK7CCNHMNAT1
SCHEMBL21178218 0.77 RXFP1 (0.36)
SCHEMBL29083562 0.76 MAPK3 (0.46) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL29083547 0.76 MAPK3 (0.46) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178298 0.76 CCNK (0.51) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178697 0.75 CDK7 (0.42) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178547 0.75 CDK7 (0.49) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178311 0.75 CDK7 (0.45) 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-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