SCHEMBL26953045

SCHEMBL26953045

CC(C)(N)c1ccc(-c2ccnc3[nH]cc(Br)c23)cc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 11/20 0.44
BRAF P15056 3/20 0.42
PRKD3 O94806 3/20 0.40
MAP4K4 O95819 3/20 0.40
MAPK8 P45983 3/20 0.40
CLK2 P49760 3/20 0.40
CDK5 Q00535 3/20 0.40
MAP4K2 Q12851 3/20 0.40
DYRK1A Q13627 3/20 0.40
NTRK3 Q16288 3/20 0.40
NTRK2 Q16620 3/20 0.40
CLK4 Q9HAZ1 3/20 0.40
GSK3B P49841 2/20 0.40
PAK4 O96013 2/20 0.40
PRKACA P17612 2/20 0.40
LTK P29376 2/20 0.40
MAP2K2 P36507 2/20 0.40
CDK8 P49336 2/20 0.40
RPS6KA3 P51812 2/20 0.40
MAP2K1 Q02750 2/20 0.40

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
SCHEMBL31735040 1.00 LRRK2 (0.44) LRRK2BRAFPRKD3MAP4K4MAPK8
SCHEMBL4792269 0.82 LRRK2 (0.58) LRRK2BRAFPRKD3MAP4K4MAPK8
SCHEMBL4790325 0.82 LRRK2 (0.61) LRRK2BRAFPRKD3MAP4K4MAPK8
SCHEMBL26953049 0.81 LRRK2 (0.44) LRRK2BRAFPRKD3MAP4K4MAPK8
SCHEMBL26953024 0.78 IKBKB (0.64) LRRK2PRKD3MAP4K4MAPK8CLK2
SCHEMBL31734974 0.78 IKBKB (0.64) LRRK2PRKD3MAP4K4MAPK8CLK2
SCHEMBL26953090 0.71 LRRK2 (0.49) LRRK2PRKD3MAP4K4MAPK8CLK2
SCHEMBL31734980 0.71 LRRK2 (0.49) LRRK2PRKD3MAP4K4MAPK8CLK2
SCHEMBL4793527 0.69 LRRK2 (0.48) LRRK2BRAFPRKD3MAP4K4MAPK8
SCHEMBL31734967 0.68 LRRK2 (0.46) LRRK2PRKD3MAP4K4MAPK8CLK2

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