SCHEMBL29644099

SCHEMBL29644099

Nc1ccc2[nH]nc(-c3cnoc3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.55
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
AURKA O14965 1/20 0.44
LRRK2 Q5S007 6/20 0.43
NTRK3 Q16288 2/20 0.43
NTRK1 P04629 1/20 0.43
GSK3B P49841 1/20 0.42
MAPK1 P28482 1/20 0.39
JAK2 O60674 1/20 0.39
DCLK1 O15075 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
CHEK2 O96017 1/20 0.39
CSF1R P07333 1/20 0.39
FER P16591 1/20 0.39
CDK2 P24941 1/20 0.39
MARK3 P27448 1/20 0.39
FLT4 P35916 1/20 0.39

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
SCHEMBL22890014 1.00 AXL (0.55) AXLHTR2AHTR2CHTR2BAURKA
SCHEMBL1663211 0.79 AXL (0.60) AXLHTR2AHTR2CHTR2BAURKA
SCHEMBL29643873 0.77 NTRK1 (0.56) AXLHTR2AHTR2CHTR2BAURKA
SCHEMBL22445971 0.77 NTRK1 (0.56) AXLHTR2AHTR2CHTR2BAURKA
SCHEMBL4008208 0.76 DCLK1 (0.65) AXLHTR2AHTR2CHTR2BAURKA
SCHEMBL12193658 0.76 MKNK1 (0.61) AXLHTR2AHTR2CHTR2BAURKA
SCHEMBL31423230 0.76 DCLK1 (0.65) AXLHTR2AHTR2CHTR2BAURKA
SCHEMBL12193885 0.75 AXL (0.57) AXLHTR2AHTR2CHTR2BAURKA
SCHEMBL2469031 0.73 AXL (0.55) AXLHTR2AHTR2CHTR2BAURKA
SCHEMBL4006856 0.73 AXL (0.55) AXLHTR2AHTR2CHTR2BAURKA

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
EP-3997081-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS Escape Bio, Inc. (US) 2022-05-18 EP disclosed