SCHEMBL4736181

SCHEMBL4736181

COc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.56
TTK P33981 2/20 0.54
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
HTR2B P41595 1/20 0.53
GSK3A P49840 2/20 0.52
GSK3B P49841 2/20 0.52
DYRK1A Q13627 1/20 0.52
MAPK14 Q16539 3/20 0.51
ITK Q08881 2/20 0.51
LRRK2 Q5S007 4/20 0.50
MAPK13 O15264 2/20 0.49
MAPK12 P53778 2/20 0.49
MAPK11 Q15759 2/20 0.49
MAPK1 P28482 1/20 0.48
PIK3CA P42336 1/20 0.48
MAP2K4 P45985 1/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
USP2 O75604 1/20 0.48

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
SCHEMBL5377153 0.84 MAPK14 (0.52) NTRK1TTKHTR2AHTR2CHTR2B
SCHEMBL8253009 0.82 CSNK1D (0.49) NTRK1TTKGSK3AGSK3BDYRK1A
SCHEMBL27542244 0.81 TTK (0.46) NTRK1TTKLRRK2MAPK1MAP2K4
SCHEMBL4840184 0.81 ENPP1 (0.61) GSK3AGSK3BDYRK1AMAPK14ITK
SCHEMBL8251865 0.80 MAP2K4 (0.68) TTKHTR2AHTR2CHTR2BGSK3A
SCHEMBL5374591 0.80 MAP2K4 (0.71) NTRK1ITKMAPK1MAP2K4
SCHEMBL4009086 0.79 AXL (0.55) TTKHTR2AHTR2CHTR2BGSK3A
SCHEMBL5453654 0.78 NTRK1 (0.43) NTRK1TTKHTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL5390659 0.78 AXL (0.53) TTKHTR2AHTR2CHTR2BGSK3A
SCHEMBL5516414 0.77 MKNK1 (0.62) TTKGSK3AGSK3BDYRK1AMAPK14

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-2008079073-A1 INDAZOLYL SULPHONAMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-07-03 WO disclosed