SCHEMBL4574615

SCHEMBL4574615

Cc1cc(N2CCOCC2)ccc1Nc1ncnc2ccc(-c3nccs3)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 1/20 0.50
MAPK1 P28482 3/20 0.49
MAPT P10636 2/20 0.49
AHR P35869 1/20 0.49
HTT P42858 1/20 0.49
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
CD38 P28907 1/20 0.43
PRKDC P78527 6/20 0.43
KCNH2 Q12809 5/20 0.43
CLK4 Q9HAZ1 4/20 0.42
HIF1A Q16665 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
CYP2C19 P33261 1/20 0.42
CYP1A2 P05177 4/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2D6 P10635 2/20 0.42
HSD17B10 Q99714 2/20 0.42

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
SCHEMBL4573993 0.89 INSR (0.49) PI4KBMAPK1MAPTAHRHTT
SCHEMBL4574494 0.87 EGFR (0.51) PI4KBMAPK1MAPTAHRHTT
SCHEMBL4892850 0.87 MAPT (0.66) PI4KBMAPK1MAPTAHRHTT
SCHEMBL4890249 0.86 CD38 (0.49) PI4KBMAPK1MAPTAHRHTT
SCHEMBL4882141 0.82 MAPT (0.57) PI4KBMAPK1MAPTAHRHTT
SCHEMBL4008515 0.74 MAPT (0.80) PI4KBMAPK1MAPTAHRHTT
SCHEMBL4889676 0.74 MAPK1 (0.48) PI4KBMAPK1MAPTAHRHTT
SCHEMBL4895102 0.72 MAPT (0.63) PI4KBMAPK1MAPTAHRHTT
SCHEMBL15545775 0.72 CYP1A2 (0.57) MAPTHTTNPC1POLBRAB9A
SCHEMBL4891700 0.72 CLK4 (0.67) 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