SCHEMBL4573993

SCHEMBL4573993

COc1cc(N2CCOCC2)ccc1Nc1ncnc2ccc(-c3nccs3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 2/20 0.49
ALK Q9UM73 2/20 0.49
PI4KB Q9UBF8 1/20 0.48
MAPK1 P28482 2/20 0.47
MAPT P10636 2/20 0.47
AHR P35869 1/20 0.47
HTT P42858 1/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
HIF1A Q16665 1/20 0.47
USP2 O75604 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL4574494 0.92 EGFR (0.51) INSRALKPI4KBMAPK1MAPT
SCHEMBL4574615 0.89 PI4KB (0.50) PI4KBMAPK1MAPTAHRHTT
SCHEMBL4892850 0.85 MAPT (0.66) PI4KBMAPK1MAPTAHRHTT
SCHEMBL4931410 0.76 MAPT (0.66) INSRPI4KBMAPK1MAPTAHR
SCHEMBL4890249 0.75 CD38 (0.49) PI4KBMAPK1MAPTAHRHTT
SCHEMBL4935871 0.73 RAF1 (0.64) INSRPI4KBMAPK1MAPTAHR
SCHEMBL4008515 0.72 MAPT (0.80) PI4KBMAPK1MAPTAHRHTT
SCHEMBL4938676 0.72 MAPT (0.60) INSRPI4KBMAPK1MAPTAHR
SCHEMBL4758836 0.72 MAPT (0.60) INSRPI4KBMAPK1MAPTAHR
SCHEMBL4889676 0.72 MAPK1 (0.48) PI4KBMAPK1MAPTAHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008056149-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ARROW THERAPEUTICS LIMITED (GB) 2008-05-15 WO claimed
WO-2008056149-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ARROW THERAPEUTICS LIMITED (GB) 2008-05-15 WO disclosed