SCHEMBL16099409

SCHEMBL16099409

COc1ccc2c3ccncc3n(CC(C)N(C)C)c2c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 5/20 0.59
DYRK1A Q13627 11/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
ROCK2 O75116 3/20 0.46
MAOA P21397 2/20 0.44
ACHE P22303 1/20 0.44
DYRK3 O43781 1/20 0.43
CLK1 P49759 1/20 0.43
CLK2 P49760 1/20 0.43
CLK3 P49761 1/20 0.43
GSK3B P49841 1/20 0.43
DYRK2 Q92630 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
DYRK4 Q9NR20 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
MAOB P27338 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
SCHEMBL30939878 1.00 HASPIN (0.59) HASPINDYRK1AHTR2AHTR2CROCK2
SCHEMBL16098606 0.84 HASPIN (0.42) HASPINDYRK1AHTR2AHTR2CROCK2
SCHEMBL16098607 0.83 HASPIN (0.41) HASPINDYRK1AROCK2MAOAGSK3B
SCHEMBL23234241 0.82 HASPIN (0.39) HASPINDYRK1AHTR2AHTR2CROCK2
SCHEMBL30939921 0.82 HASPIN (0.39) HASPINDYRK1AHTR2AHTR2CROCK2
SCHEMBL30939903 0.82 PER2 (0.46) DYRK1AHTR2AHTR2C
SCHEMBL16103007 0.82 PER2 (0.46) DYRK1AHTR2AHTR2C
SCHEMBL16099839 0.80 HASPIN (0.39) HASPINROCK2MAOADYRK2MAOB
SCHEMBL30940009 0.80 DYRK1A (0.69) HASPINDYRK1AHTR2AHTR2CMAOA
SCHEMBL16123598 0.80 DYRK1A (0.69) HASPINDYRK1AHTR2AHTR2CMAOA

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
EP-2968284-B1 ALKYL-AMINE HARMINE DERIVATIVES FOR PROMOTING BONE GROWTH OSTEOQC INC (CA) 2021-04-21 EP claimed
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
EP-2968284-A2 ALKYL-AMINE HARMINE DERIVATIVES FOR PROMOTING BONE GROWTH Osteoqc Inc. (CA) 2016-01-20 EP disclosed
WO-2014153203-A2 ALKYL-AMINE HARMINE DERIVATIVES FOR PROMOTING BONE GROWTH OSSIFI INC. (US) 2014-09-25 WO disclosed