SCHEMBL2372869

SCHEMBL2372869

O=c1nc(-c2ccccc2O)[nH]c2ccc(Cl)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.51
KDM4E B2RXH2 5/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
GUSB P08236 2/20 0.48
FLT3 P36888 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CASP1 P29466 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
PDE5A O76074 1/20 0.45
CASR P41180 1/20 0.44
MGAM O43451 2/20 0.44
GAA P10253 2/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
PIM1 P11309 1/20 0.44

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
SCHEMBL14141938 0.92 HDAC6 (0.51) PTGESKDM4EHPGDHSD17B10GUSB
SCHEMBL5508220 0.84 KDM4E (0.55) PTGESKDM4EHPGDHSD17B10GUSB
SCHEMBL3111166 0.83 KDM4E (0.59) PTGESKDM4EHPGDHSD17B10GUSB
SCHEMBL31722934 0.83 KDM4E (0.59) PTGESKDM4EHPGDHSD17B10GUSB
SCHEMBL7393988 0.80 F7 (0.55) PTGESKDM4EHPGDHSD17B10GUSB
SCHEMBL11243512 0.78 GUSB (0.70) KDM4EHPGDHSD17B10GUSBPDE5A
SCHEMBL7393993 0.77 AMY1A (0.64) KDM4EHPGDHSD17B10GUSBMEN1
SCHEMBL9010824 0.76 PTGES (0.39) PTGESKDM4EHPGDHSD17B10FLT3
SCHEMBL30918933 0.74 LMNA (0.53) PTGESKDM4EHPGDHSD17B10FLT3
SCHEMBL7396100 0.71 AMY1A (0.64) KDM4EHPGDHSD17B10MEN1KMT2A

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
EP-2366696-A1 Process for producing 4-aminoquinazolines Vertex Pharmaceuticals Incorporated (US) 2011-09-21 EP claimed
EP-1828150-A2 PROCESSES FOR PRODUCING 4-AMINOQUINAZOLINES Vertex Pharmaceuticals Incorporated (US) 2007-09-05 EP disclosed
WO-2006066044-A2 PROCESSES FOR PRODUCING 4-AMINOQUINAZOLINES VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-22 WO disclosed