SCHEMBL26953278

SCHEMBL26953278

NCc1ccc(-c2ccnc3[nH]cc(-c4ccccc4)c23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 1/20 0.57
LRRK2 Q5S007 11/20 0.53
CDC7 O00311 6/20 0.47
ALK Q9UM73 3/20 0.47
PRKD3 O94806 6/20 0.46
MAP4K4 O95819 6/20 0.46
PRKACA P17612 6/20 0.46
CLK2 P49760 6/20 0.46
CDK5 Q00535 6/20 0.46
MAP4K2 Q12851 6/20 0.46
ROCK1 Q13464 6/20 0.46
STK3 Q13188 6/20 0.46
DYRK1A Q13627 5/20 0.46
GSK3A P49840 5/20 0.46
GSK3B P49841 5/20 0.46
MARK3 P27448 5/20 0.46
MELK Q14680 5/20 0.46
KDR P35968 5/20 0.46
PRKAA1 Q13131 5/20 0.46
AURKB Q96GD4 5/20 0.46

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
SCHEMBL31735012 1.00 SGK1 (0.57) SGK1LRRK2CDC7ALKPRKD3
SCHEMBL26953243 0.90 CYP2A6 (0.55) SGK1LRRK2CDC7PRKD3MAP4K4
SCHEMBL31734861 0.90 CYP2A6 (0.55) SGK1LRRK2CDC7PRKD3MAP4K4
SCHEMBL26953219 0.88 LRRK2 (0.45) SGK1LRRK2CDC7PRKD3MAP4K4
SCHEMBL31735137 0.88 LRRK2 (0.45) SGK1LRRK2CDC7PRKD3MAP4K4
SCHEMBL31734890 0.87 LRRK2 (0.59) SGK1LRRK2STK3FYNTAAR1
SCHEMBL31735005 0.87 LRRK2 (0.59) SGK1LRRK2STK3CDK2JAK3
SCHEMBL26953170 0.87 LRRK2 (0.59) SGK1LRRK2STK3CDK2JAK3
SCHEMBL31734958 0.87 CDK2 (0.53) SGK1LRRK2CDC7MAP4K4PRKACA
SCHEMBL26953145 0.87 LRRK2 (0.59) SGK1LRRK2STK3FYNTAAR1

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