SCHEMBL7865987

SCHEMBL7865987

COc1ncc(I)c2nc(N)nn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.38
HSP90AB1 P08238 7/20 0.34
PDE10A Q9Y233 1/20 0.33
JAK1 P23458 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
CDK9 P50750 2/20 0.31
CHEK1 O14757 1/20 0.31
MET P08581 1/20 0.31
LTK P29376 1/20 0.31
PRKX P51817 1/20 0.31
LRRK2 Q5S007 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
DYRK3 O43781 1/20 0.31
CCNT1 O60563 1/20 0.31
DYRK1A Q13627 1/20 0.31
DYRK2 Q92630 1/20 0.31
DYRK1B Q9Y463 1/20 0.31

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
SCHEMBL841314 0.81 JAK2 (0.43) JAK2HSP90AB1PDE10AJAK1KDM4E
SCHEMBL4069697 0.81 JAK2 (0.39) JAK2HSP90AB1PDE10AJAK1KDM4E
SCHEMBL7859414 0.80 JAK2 (0.38) JAK2HSP90AB1PDE10AJAK1KDM4E
SCHEMBL4063510 0.80 NUDT1 (0.38) JAK2HSP90AB1PDE10AJAK1KDM4E
SCHEMBL20785736 0.80
SCHEMBL7867120 0.76 HSP90AB1 (0.42) JAK2HSP90AB1PDE10AKDM4EP2RX3
SCHEMBL7870509 0.68 JAK1 (0.50) JAK2PDE10AJAK1KDM4EALDH1A1
SCHEMBL7042523 0.67 PDE10A (0.44) JAK2HSP90AB1PDE10AJAK1KDM4E
SCHEMBL16361227 0.66 HSP90AB1 (0.44) JAK2HSP90AB1PDE10AJAK1KDM4E
SCHEMBL841386 0.66 HSP90AB1 (0.39) JAK2HSP90AB1PDE10AP2RX3P2RX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0877745-B1 N-( 1,2,4] TRIAZOLOAZINYL)BENZENESULFONAMIDE AND PYRIDINESULFONAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2001-07-25 EP disclosed