SCHEMBL21178637

SCHEMBL21178637

Cc1noc(-c2ccc3c(-c4nc(N[C@H]5CCCN(C(=O)O)C5)ncc4C(F)(F)F)c[nH]c3n2)n1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNK O75909 19/20 0.56
CDK12 Q9NYV4 18/20 0.56
CDK2 P24941 15/20 0.56
CCNE1 P24864 14/20 0.56
CCNT1 O60563 12/20 0.56
CDK9 P50750 12/20 0.56
CDK7 P50613 9/20 0.56
CCNH P51946 9/20 0.56
MNAT1 P51948 7/20 0.49
CCNA2 P20248 1/20 0.48
CDK13 Q14004 1/20 0.48

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
SCHEMBL29509246 0.91 CCNK (0.53) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL21178308 0.89 CCNK (0.71) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL21178869 0.89 CCNK (0.56) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL21179130 0.88 CCNK (0.57) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL29083558 0.84 CCNK (0.55) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL29083556 0.84 CCNK (0.55) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL21178691 0.83 CCNK (0.78) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL29083563 0.83 CCNK (0.52) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL21178630 0.83 CCNK (0.53) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL27203215 0.83 CCNK (0.52) CCNKCDK12CDK2CCNE1CCNT1

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