SCHEMBL21152310

SCHEMBL21152310

O=C1NCc2c(Br)csc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 3/20 0.44
DYRK1A Q13627 3/20 0.44
CLK4 Q9HAZ1 3/20 0.44
PIM1 P11309 2/20 0.44
CSNK1A1 P48729 2/20 0.44
ROCK1 Q13464 2/20 0.44
LRRK2 Q5S007 2/20 0.44
DYRK1B Q9Y463 2/20 0.44
LTK P29376 2/20 0.36
MST1R Q04912 2/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
ABL1 P00519 1/20 0.36
NTRK1 P04629 1/20 0.36
RET P07949 1/20 0.36
MET P08581 1/20 0.36
FGFR1 P11362 1/20 0.36

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
SCHEMBL21152989 0.78 CLK4 (0.35) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL21153005 0.71 KDR (0.43) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL31385355 0.69 CDK5 (0.47) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL31385354 0.69 CDK5 (0.47) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL21152484 0.68 MAP3K5 (0.38)
SCHEMBL21152480 0.65 PDE3B (0.33)
SCHEMBL1333810 0.61 CLK4 (1.00) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL24466480 0.60 CDK5 (0.55) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL21152485 0.59 MAP3K9 (0.48) CHEK1PRKD3NTRK1PRKACAPRKCQ
SCHEMBL24147834 0.59 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3735404-B1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF SEAL ROCK THERAPEUTICS INC (US) 2023-11-29 EP disclosed
WO-2020046975-A1 METHODS OF TREATING NEURODEGENERATIVE DISEASES Seal Rock Therapeutics, Inc. (US) 2020-03-05 WO disclosed
WO-2019136025-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF Seal Rock Therapeutics, Inc. (US) 2019-07-11 WO disclosed