SCHEMBL31385355

SCHEMBL31385355

O=C1NCc2c1csc2Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.47
DYRK1A Q13627 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
PIM1 P11309 1/20 0.47
CSNK1A1 P48729 1/20 0.47
ROCK1 Q13464 1/20 0.47
LRRK2 Q5S007 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
LTK P29376 1/20 0.41
MST1R Q04912 1/20 0.41
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
PARP10 Q53GL7 3/20 0.33
PARP11 Q9NR21 2/20 0.33
GRM2 Q14416 1/20 0.32
PARP1 P09874 3/20 0.32
MAP3K9 P80192 1/20 0.31
MAP3K11 Q16584 1/20 0.31
CDC7 O00311 1/20 0.31
PIK3CD O00329 1/20 0.30

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
SCHEMBL31385354 1.00 CDK5 (0.47) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL21152310 0.69 CDK5 (0.44) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL1333810 0.64 CLK4 (1.00) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL24466480 0.63 CDK5 (0.55) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL17141660 0.63 CLK4 (0.46) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL21153005 0.62 KDR (0.43) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL24147834 0.62 CLK4 (0.53) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL25260852 0.62 PIM1 (0.53) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL25411512 0.62 CLK4 (0.53) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL1334392 0.62 CLK4 (0.53) CDK5DYRK1ACLK4PIM1CSNK1A1

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
WO-2025038747-A1 MODIFIED THIOSTREPTON-INSPIRED COMPOUNDS FOR TREATMENT OF CANCER AND PREPARATION THEREOF RS ONCOLOGY, LLC (US) 2025-02-20 WO disclosed