SCHEMBL21178308

SCHEMBL21178308

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

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNK O75909 19/20 0.71
CDK12 Q9NYV4 18/20 0.71
CDK2 P24941 15/20 0.71
CCNE1 P24864 14/20 0.71
CCNT1 O60563 13/20 0.71
CDK9 P50750 13/20 0.71
CDK7 P50613 10/20 0.71
CCNH P51946 10/20 0.71
MNAT1 P51948 7/20 0.49
CCNA2 P20248 1/20 0.47
CDK13 Q14004 1/20 0.47

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
SCHEMBL29509235 0.91 CCNK (0.67) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL21188763 0.91 CCNK (0.67) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL21178869 0.89 CCNK (0.56) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL21178637 0.89 CCNK (0.56) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL21178537 0.88 CCNK (0.64) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL21178941 0.88 CCNK (0.67) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL21184430 0.88 CCNK (0.85) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL21184615 0.88 CCNK (0.85) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL30564801 0.85 CCNK (0.62) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL26627072 0.85 CCNK (0.62) 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