SCHEMBL4859121

SCHEMBL4859121

COc1ccc(CNc2nc(CCc3ccccc3)nc3ccccc23)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.68
SLC2A1 P11166 1/20 0.64
EGFR P00533 3/20 0.60
POLB P06746 2/20 0.60
NR2F2 P24468 1/20 0.60
USP1 O94782 1/20 0.57
WDR48 Q8TAF3 1/20 0.57
LMNA P02545 4/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 2/20 0.57
TSHR P16473 2/20 0.57
MAPK1 P28482 2/20 0.57
CYP2C19 P33261 2/20 0.57
HSD17B10 Q99714 2/20 0.57
ALDH1A1 P00352 2/20 0.57
USP2 O75604 1/20 0.57
CYP2C9 P11712 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
TP53 P04637 1/20 0.55

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
SCHEMBL4866944 0.90 APP (0.68) APPSLC2A1EGFRPOLBNR2F2
SCHEMBL3106193 0.89 APP (0.70) APPSLC2A1EGFRPOLBNR2F2
SCHEMBL4864375 0.89 APP (0.60) APPSLC2A1EGFRLMNACYP1A2
SCHEMBL4864671 0.89 APP (0.70) APPSLC2A1EGFRPOLBNR2F2
SCHEMBL4863020 0.88 APP (0.71) APPSLC2A1EGFRLMNACYP1A2
SCHEMBL3110568 0.88 APP (0.71) APPSLC2A1EGFRPOLBNR2F2
SCHEMBL92716 0.86 APP (0.70) APPSLC2A1EGFRPOLBNR2F2
SCHEMBL3115914 0.86 APP (0.70) APPSLC2A1EGFRPOLBNR2F2
SCHEMBL3119160 0.86 APP (0.70) APPSLC2A1EGFRPOLBNR2F2
SCHEMBL92685 0.86 APP (0.73) APPSLC2A1EGFRPOLBNR2F2

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