SCHEMBL21179307

SCHEMBL21179307

CC(C)(C)OC(=O)N1CCC[C@H](Nc2ncc(C(F)(F)F)c(-c3cn(S(=O)(=O)c4ccccc4)c4cc(Br)ccc34)n2)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 7/20 0.44
CCNH P51946 7/20 0.44
MNAT1 P51948 7/20 0.44
CCNK O75909 8/20 0.44
CDK12 Q9NYV4 7/20 0.44
CDK2 P24941 6/20 0.43
CCNT1 O60563 5/20 0.43
CDK9 P50750 5/20 0.43
CCNE1 P24864 5/20 0.43
HTR6 P50406 2/20 0.42
SFRP1 Q8N474 3/20 0.41
TRPV1 Q8NER1 1/20 0.41
BCHE P06276 1/20 0.41
CCNA2 P20248 1/20 0.40
CDK13 Q14004 1/20 0.40
MAPK3 P27361 2/20 0.40
USP30 Q70CQ3 1/20 0.39

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
SCHEMBL29509115 1.00 CDK7 (0.44) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25595661 1.00 CDK7 (0.44) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL30204090 0.92 CDK7 (0.44) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL21178751 0.92 CDK7 (0.46) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL30204096 0.91 CCNK (0.47) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL30204434 0.91 CCNK (0.46) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL30204144 0.91 CCNK (0.43) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL30204102 0.91 CCNK (0.47) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL30204152 0.90 CCNK (0.43) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL21179300 0.90 HTR6 (0.42) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4295852-A2 PIPERIDINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2023-12-27 EP disclosed
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