SCHEMBL1664137

SCHEMBL1664137

N#Cc1ccc(-c2n[nH]c3ccc(N)cc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 12/20 0.58
AXL P30530 2/20 0.51
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
TRPA1 O75762 1/20 0.50
SCN5A Q14524 1/20 0.50
SCN9A Q15858 1/20 0.50
ITK Q08881 1/20 0.48
FGFR1 P11362 1/20 0.44
FGFR2 P21802 1/20 0.44
AURKA O14965 1/20 0.44
MKNK1 Q9BUB5 1/20 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
SCHEMBL1663211 0.85 AXL (0.60) AXLHTR2AHTR2CHTR2BFGFR1
SCHEMBL17801064 0.82 DCLK1 (0.65) LRRK2AXLHTR2AHTR2CHTR2B
SCHEMBL4006856 0.80 AXL (0.55) AXLHTR2AHTR2CHTR2BFGFR1
SCHEMBL2469031 0.80 AXL (0.55) AXLHTR2AHTR2CHTR2BFGFR1
SCHEMBL12193658 0.79 MKNK1 (0.61) LRRK2AXLHTR2AHTR2CHTR2B
SCHEMBL31423230 0.79 DCLK1 (0.65) LRRK2AXLHTR2AHTR2CHTR2B
SCHEMBL4008208 0.79 DCLK1 (0.65) LRRK2AXLHTR2AHTR2CHTR2B
SCHEMBL2857828 0.79 LRRK2 (0.54) LRRK2TRPA1SCN5ASCN9AITK
SCHEMBL5379650 0.79 MAPK1 (0.61) LRRK2TRPA1SCN5ASCN9AITK
SCHEMBL2859279 0.78 ITK (0.64) LRRK2ITKMKNK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016089977-A1 SUBSTITUTED INDAZOLE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH CELGENE CORPORATION (US) 2016-06-09 WO disclosed
EP-2642994-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS Ligand Pharmaceuticals Incorporated (US) 2013-10-02 EP disclosed
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO disclosed