SCHEMBL6537841

SCHEMBL6537841

Nc1cccc(-c2cnc3c(NC(=O)c4c(Cl)cccc4Cl)cccc3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.45
PLK4 O00444 1/20 0.44
MAP4K4 O95819 1/20 0.44
EGFR P00533 1/20 0.44
ROS1 P08922 1/20 0.44
PIM1 P11309 1/20 0.44
AXL P30530 1/20 0.44
FLT3 P36888 1/20 0.44
FRK P42685 1/20 0.44
MAP4K2 Q12851 1/20 0.44
NTRK3 Q16288 1/20 0.44
MINK1 Q8N4C8 1/20 0.44
AURKB Q96GD4 1/20 0.44
HIPK2 Q9H2X6 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
STK17A Q9UEE5 1/20 0.44
ALK Q9UM73 1/20 0.44
JAK2 O60674 1/20 0.44
TYK2 P29597 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
SCHEMBL6537425 0.89 KDR (0.51) KDRIRAK4JAK2TYK2MAPT
SCHEMBL6537438 0.79 PSMD14 (0.52) KDRJAK2TYK2MAPTPLEC
Hydrochloric Acid SCHEMBL6538227 0.79 KDR (0.52) KDRIRAK4JAK2TYK2MAPT
SCHEMBL6537382 0.79 SLC40A1 (0.52) KDRMAPTPLECPARP1MEN1
SCHEMBL6537536 0.79 KDR (0.52) KDRJAK2TYK2MAPTPLEC
SCHEMBL6538256 0.78 MAPT (0.52) KDRJAK2TYK2MAPTPLEC
SCHEMBL6537399 0.77 KDR (0.49) KDRJAK2TYK2MAPTPLEC
SCHEMBL6537743 0.77 KDR (0.48) KDRJAK2TYK2MAPTPLEC
SCHEMBL6537852 0.77 KDR (0.48) KDRJAK2TYK2MAPTPLEC
SCHEMBL6537950 0.77 KDR (0.48) KDRJAK2TYK2MAPTPLEC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876345-B1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO (JP) 2004-08-18 EP disclosed
US-6008230-A TREATING BONE DISEASES CAUSED BY ABNORMAL BONE METABOLISM IN HUMAN BEING OR ANIMALS AS THE INHIBITORS OF BONE RESORPTION OR THE INHIBITORS OF BONE METASTASIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed
EP-0876345-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-11 EP disclosed
WO-1997014681-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-24 WO disclosed