SCHEMBL21178298

SCHEMBL21178298

CNC(=O)[C@@H]1C[C@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4nc(-c5nccs5)ccc34)n2)CN(C(=O)O)C1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNK O75909 19/20 0.51
CDK12 Q9NYV4 19/20 0.51
CCNE1 P24864 18/20 0.51
CDK2 P24941 18/20 0.51
CCNT1 O60563 13/20 0.51
CDK9 P50750 13/20 0.51
CDK7 P50613 8/20 0.51
CCNH P51946 8/20 0.51
MNAT1 P51948 6/20 0.51

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
SCHEMBL24087354 0.92 CCNK (0.48) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL29509225 0.92 CCNK (0.48) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21188532 0.88 CCNK (0.67) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL29509223 0.88 CCNK (0.67) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178479 0.86 CDK7 (0.50) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178771 0.86 CCNK (0.45) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL29509265 0.86 CCNK (0.45) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178537 0.84 CCNK (0.64) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24087458 0.80 CDK7 (0.47) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL29509086 0.80 CDK7 (0.47) 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