SCHEMBL4859418

SCHEMBL4859418

COc1ccc(CNc2nc(CCc3ccccc3)nc3ccccc23)cc1OC

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.72
APP P05067 13/20 0.70
BCHE P06276 9/20 0.69
MEN1 O00255 1/20 0.69
KMT2A Q03164 1/20 0.69

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
SCHEMBL4859221 0.91 ACHE (0.74) ACHEAPPBCHEMEN1KMT2A
SCHEMBL4863132 0.90 ACHE (0.73) ACHEAPPBCHEMEN1KMT2A
SCHEMBL4863020 0.85 APP (0.71) ACHEAPPMEN1KMT2A
SCHEMBL4859121 0.85 APP (0.68) ACHEAPPBCHEKMT2A
SCHEMBL4864375 0.84 APP (0.60) ACHEAPPBCHEMEN1KMT2A
SCHEMBL4861484 0.84 CYP1A2 (0.64) ACHEMEN1KMT2A
SCHEMBL5270283 0.84 CYP1A2 (0.55) ACHEAPPMEN1KMT2A
SCHEMBL4868159 0.83 APP (0.51) ACHEAPPBCHEMEN1KMT2A
SCHEMBL3121034 0.82 APP (0.79) ACHEAPPBCHEMEN1KMT2A
Hydrochloric Acid SCHEMBL3123789 0.81 APP (0.77) ACHEAPPBCHEMEN1KMT2A

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
JP-2008526734-A 2008-07-24 JP claimed
EP-1844023-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY SK CHEMICALS CO., LTD. (KR) 2007-10-17 EP claimed
WO-2006071095-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY SK CHEMICALS CO., LTD. (KR) 2006-07-06 WO claimed
EP-1844023-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY SK CHEMICALS CO., LTD. (KR) 2007-10-17 EP disclosed
WO-2006071095-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY SK CHEMICALS CO., LTD. (KR) 2006-07-06 WO disclosed