SCHEMBL5047743

SCHEMBL5047743

NC(=O)c1cc(-c2cccc(N)c2)ccc1N

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.74
MCL1 Q07820 2/20 0.58
MAP4K4 O95819 4/20 0.55
MKNK2 Q9HBH9 3/20 0.55
AXL P30530 2/20 0.55
PLK4 O00444 1/20 0.55
EGFR P00533 1/20 0.55
ROS1 P08922 1/20 0.55
PIM1 P11309 1/20 0.55
FLT3 P36888 1/20 0.55
FRK P42685 1/20 0.55
MAP4K2 Q12851 1/20 0.55
NTRK3 Q16288 1/20 0.55
MINK1 Q8N4C8 1/20 0.55
AURKB Q96GD4 1/20 0.55
HIPK2 Q9H2X6 1/20 0.55
IRAK4 Q9NWZ3 1/20 0.55
STK17A Q9UEE5 1/20 0.55
ALK Q9UM73 1/20 0.55
KMT2A Q03164 2/20 0.53

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
SCHEMBL9578379 0.87 IKBKB (0.81) IKBKBMCL1MKNK2KMT2AKDM4E
SCHEMBL3784526 0.86 IKBKB (0.54) IKBKBMCL1MAP4K4MKNK2AXL
SCHEMBL3781950 0.85 IKBKB (1.00) IKBKBMCL1KMT2AKDM4EGFER
SCHEMBL3781881 0.84 MCL1 (0.57) IKBKBMCL1MAP4K4MKNK2AXL
SCHEMBL3794862 0.83 IKBKB (0.76) IKBKBMCL1MKNK2KMT2AKDM4E
SCHEMBL28211256 0.81 IKBKB (0.53) IKBKBMCL1MAP4K4MKNK2AXL
SCHEMBL10713802 0.79 KMT2A (0.84) IKBKBMCL1KMT2AKDM4EGFER
SCHEMBL29032715 0.79 IKBKB (0.64) IKBKBKMT2AKDM4EGFERRXFP1
SCHEMBL1708814 0.78 KMT2A (0.65) IKBKBMCL1KMT2AKDM4EGFER
SCHEMBL5303404 0.78 IKBKB (0.73) IKBKBMAP4K4MKNK2KMT2AKDM4E

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
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
US-4686147-A SILICONE CONTAINING POLYIMIDES INSULATION LAYER HITACHI, LTD. (JP) 1987-08-11 US disclosed