SCHEMBL25600778

SCHEMBL25600778

Clc1ncc(I)c(-c2c[nH]c3c(Br)cccc23)n1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 15/20 0.73
CDK5 Q00535 8/20 0.73
CDK5R1 Q15078 8/20 0.73
DYRK1A Q13627 2/20 0.47
GSK3B P49841 1/20 0.47
RPS6KA5 O75582 2/20 0.45
CCNT1 O60563 1/20 0.39
CCNK O75909 1/20 0.39
CDK7 P50613 1/20 0.39
CDK9 P50750 1/20 0.39
CCNH P51946 1/20 0.39
MNAT1 P51948 1/20 0.39
CDK12 Q9NYV4 1/20 0.39
AR P10275 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
SCHEMBL30439297 1.00 CLK1 (0.73) CLK1CDK5CDK5R1DYRK1AGSK3B
SCHEMBL24588145 0.85 CLK1 (0.53) CLK1CDK5CDK5R1DYRK1AGSK3B
SCHEMBL29699138 0.85 CLK1 (0.53) CLK1CDK5CDK5R1DYRK1AGSK3B
SCHEMBL29699079 0.85 CLK1 (0.53) CLK1CDK5CDK5R1DYRK1AGSK3B
SCHEMBL24588201 0.85 CLK1 (0.53) CLK1CDK5CDK5R1DYRK1AGSK3B
SCHEMBL29492558 0.81 CCNT1 (0.57) CLK1CDK5CDK5R1DYRK1AGSK3B
SCHEMBL24588844 0.81 DYRK1A (0.53) CLK1CDK5CDK5R1DYRK1AGSK3B
SCHEMBL29699124 0.81 DYRK1A (0.53) CLK1CDK5CDK5R1DYRK1AGSK3B
SCHEMBL23152046 0.79 CLK1 (0.71) CLK1CDK5CDK5R1RPS6KA5CCNT1
SCHEMBL30687302 0.79 CLK1 (0.71) CLK1CDK5CDK5R1RPS6KA5CCNT1

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