SCHEMBL5809117

SCHEMBL5809117

COCn1c(C)c(C)c2ccnc(OC)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 9/20 0.35
MAOA P21397 3/20 0.34
ACSS2 Q9NR19 1/20 0.34
RPS6KA5 O75582 1/20 0.33
HASPIN Q8TF76 5/20 0.33
DYRK2 Q92630 3/20 0.32
ACHE P22303 2/20 0.32
DYRK3 O43781 1/20 0.32
CLK1 P49759 1/20 0.32
CLK2 P49760 1/20 0.32
CLK3 P49761 1/20 0.32
GSK3B P49841 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
DYRK4 Q9NR20 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
BCHE P06276 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31

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
SCHEMBL5808673 0.86 DYRK1A (0.44) DYRK1AMAOAACSS2RPS6KA5HASPIN
SCHEMBL5810449 0.85 KMT2A (0.38) DYRK1AACSS2HASPINDYRK2GSK3B
SCHEMBL5806151 0.85 MAOA (0.33) DYRK1AMAOA
Hydrochloric Acid SCHEMBL5810813 0.84 KMT2A (0.37) DYRK1AACSS2HASPINDYRK2GSK3B
Hydrochloric Acid SCHEMBL5810471 0.84 MAOA (0.33) DYRK1AMAOA
SCHEMBL5807487 0.84 LMNA (0.38) DYRK1AMAOAACSS2RPS6KA5HASPIN
SCHEMBL5806362 0.84 DYRK1A (0.46) DYRK1AMAOAACSS2RPS6KA5HASPIN
Hydrochloric Acid SCHEMBL5810379 0.82 TDP1 (0.30)
SCHEMBL5810298 0.81 ACHE (0.48) DYRK1AMAOAACSS2RPS6KA5HASPIN
Hydrochloric Acid SCHEMBL5808787 0.81 TRPA1 (0.43) DYRK1AMAOAKDM4EALDH1A1TP53

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
WO-2006025717-A1 PYRROLO[2,3-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO claimed
EP-1697370-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2006-09-06 EP disclosed
WO-2005063761-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-14 WO disclosed