SCHEMBL26953174

SCHEMBL26953174

NCc1ccc(-c2ccnc3[nH]cc(Cl)c23)cc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 13/20 0.46
CDK9 P50750 3/20 0.43
CDK5 Q00535 3/20 0.43
DYRK1B Q9Y463 3/20 0.43
GSK3B P49841 2/20 0.43
CDK2 P24941 2/20 0.43
STK3 Q13188 2/20 0.43
DAPK3 O43293 2/20 0.43
PRKD3 O94806 2/20 0.43
MAP4K4 O95819 2/20 0.43
PRKACA P17612 2/20 0.43
LTK P29376 2/20 0.43
GRK5 P34947 2/20 0.43
KDR P35968 2/20 0.43
MAP2K2 P36507 2/20 0.43
MAPK8 P45983 2/20 0.43
CSNK1A1 P48729 2/20 0.43
CDK8 P49336 2/20 0.43
CLK2 P49760 2/20 0.43
CDK7 P50613 2/20 0.43

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
SCHEMBL31734967 1.00 LRRK2 (0.46) LRRK2CDK9CDK5DYRK1BGSK3B
SCHEMBL31734980 0.89 LRRK2 (0.49) LRRK2CDK9CDK5DYRK1BGSK3B
SCHEMBL26953090 0.89 LRRK2 (0.49) LRRK2CDK9CDK5DYRK1BGSK3B
SCHEMBL26953274 0.87 LRRK2 (0.44) LRRK2CDK9CDK5DYRK1BGSK3B
SCHEMBL31734964 0.87 LRRK2 (0.44) LRRK2CDK9CDK5DYRK1BGSK3B
SCHEMBL4790877 0.83 LRRK2 (0.61) LRRK2CDK9CDK5DYRK1BGSK3B
SCHEMBL26953300 0.83 LRRK2 (0.53) LRRK2CDK9CDK5DYRK1BGSK3B
SCHEMBL31734905 0.83 LRRK2 (0.53) LRRK2CDK9CDK5DYRK1BGSK3B
SCHEMBL31735024 0.83 LRRK2 (0.44) LRRK2CDK5DYRK1BGSK3BCDK2
SCHEMBL26953091 0.83 LRRK2 (0.44) LRRK2CDK5DYRK1BGSK3BCDK2

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-2023239727-A1 LATS INHIBITORS AND USES THEREOF THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2023-12-14 WO disclosed