SCHEMBL25600700

SCHEMBL25600700

Cc1cnc(Cl)nc1-c1c[nH]c2cc(C#N)ccc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNK O75909 12/20 0.48
CDK12 Q9NYV4 12/20 0.48
CCNT1 O60563 6/20 0.48
CDK9 P50750 6/20 0.48
CCNE1 P24864 5/20 0.48
CDK2 P24941 5/20 0.48
MAP3K14 Q99558 2/20 0.47
CDK7 P50613 11/20 0.42
CCNH P51946 11/20 0.42
MNAT1 P51948 10/20 0.42
PDE4B Q07343 1/20 0.38
RPS6KA5 O75582 1/20 0.38

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
SCHEMBL21628998 0.86 MAP3K14 (0.52) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30554763 0.86 MAP3K14 (0.52) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25600703 0.86 CLK1 (0.52) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL28817250 0.86 CCNK (0.48) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25599273 0.85 CCNK (0.60) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25599698 0.85 CDK7 (0.47) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30007191 0.83 CCNK (0.60) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL21178905 0.83 CCNK (0.60) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL19532565 0.80 DYRK1A (0.51) MAP3K14PDE4B
SCHEMBL30108168 0.78 JAK2 (0.55) CCNKCDK12CCNT1CDK9MAP3K14

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3484871-B1 PIPERIDINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2023-06-07 EP disclosed