SCHEMBL6046305

SCHEMBL6046305

Cn1c2cnccc2c2ccc(O)cc21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.54
ADORA2A P29274 1/20 0.54
ROCK2 O75116 6/20 0.48
MAPT P10636 3/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
ESR1 P03372 1/20 0.41
CHEK1 O14757 1/20 0.39
NFATC1 O95644 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
HASPIN Q8TF76 1/20 0.38
KIT P10721 1/20 0.38
PDGFRA P16234 1/20 0.38
FGFR3 P22607 1/20 0.38

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
SCHEMBL1609661 0.83 ADORA3 (0.54) ADORA3ADORA2AROCK2ACHENFATC1
SCHEMBL3886263 0.83 BCHE (0.52) MAPTBCHEACHEESR1
SCHEMBL17109975 0.81 ADORA3 (0.51) ADORA3ADORA2AROCK2ACHENFATC1
SCHEMBL17940518 0.79 ROCK2 (0.53) ADORA3ADORA2AROCK2MAPTACHE
SCHEMBL24276814 0.78 ADORA3 (0.41) ADORA3ADORA2AROCK2MAPTBCHE
SCHEMBL16345042 0.78 ROCK2 (0.62) ADORA3ADORA2AROCK2
SCHEMBL16102674 0.77 MAPT (0.37) ADORA3ADORA2AROCK2MAPTESR1
SCHEMBL1921708 0.77 HASPIN (0.61) ADORA3ADORA2AROCK2MAPTBCHE
SCHEMBL2718934 0.76 ADORA3 (0.45) ADORA3ADORA2AROCK2BCHEACHE
SCHEMBL2628358 0.76 ADORA3 (0.49) ADORA3ADORA2AROCK2ACHENFATC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968284-A2 ALKYL-AMINE HARMINE DERIVATIVES FOR PROMOTING BONE GROWTH Osteoqc Inc. (CA) 2016-01-20 EP claimed
WO-2014153203-A2 ALKYL-AMINE HARMINE DERIVATIVES FOR PROMOTING BONE GROWTH OSSIFI INC. (US) 2014-09-25 WO claimed
WO-2006124003-A1 COMPOSITE MALDI MATRIX MATERIAL AND METHODS OF USING IT AND KITS THEREOF IN MALDI AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2006-11-23 WO disclosed