SCHEMBL21178313

SCHEMBL21178313

Cc1noc(C)c1-c1ccc2c(-c3nc(N[C@H]4CCCN(C(=O)O)C4)ncc3C(F)(F)F)nn(C3CCCCO3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 6/20 0.47
CDK2 P24941 6/20 0.47
CDK7 P50613 6/20 0.47
CCNH P51946 6/20 0.47
CCNK O75909 6/20 0.47
CDK12 Q9NYV4 6/20 0.47
CCNT1 O60563 4/20 0.47
CDK9 P50750 4/20 0.47
MAPK3 P27361 12/20 0.40
MNAT1 P51948 3/20 0.36

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
SCHEMBL21178277 0.92 CCNE1 (0.45) CCNE1CDK2CDK7CCNHCCNK
SCHEMBL29509162 0.92 CCNE1 (0.45) CCNE1CDK2CDK7CCNHCCNK
SCHEMBL21178397 0.91 CCNK (0.45) CCNE1CDK2CDK7CCNHCCNK
SCHEMBL21178319 0.90 MAPK3 (0.38) CCNE1CDK2CDK7CCNHCCNK
SCHEMBL21178596 0.89 CCNE1 (0.45) CCNE1CDK2CDK7CCNHCCNK
SCHEMBL21188540 0.86 CCNK (0.65) CCNE1CDK2CDK7CCNHCCNK
SCHEMBL24087396 0.85 CCNK (0.42) CCNE1CDK2CDK7CCNHCCNK
SCHEMBL29509329 0.85 CCNK (0.42) CCNE1CDK2CDK7CCNHCCNK
SCHEMBL21178811 0.84 CDK7 (0.46) CCNE1CDK2CDK7CCNHCCNK
SCHEMBL21178310 0.84 CDK2 (0.42) CCNE1CDK2CDK7CCNHCCNK

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