SCHEMBL8100416

SCHEMBL8100416

CSc1nccc2nnc(N)n12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 3/20 0.41
DYRK1B Q9Y463 3/20 0.41
CHEK1 O14757 2/20 0.41
GRK5 P34947 2/20 0.41
CSNK1A1 P48729 2/20 0.41
TYRO3 Q06418 2/20 0.41
LRRK2 Q5S007 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
LTK P29376 1/20 0.41
LMNA P02545 1/20 0.35
MAPK14 Q16539 3/20 0.33
DAPK3 O43293 2/20 0.33
JAK2 O60674 2/20 0.33
ABL1 P00519 2/20 0.33
CSF1R P07333 2/20 0.33
RET P07949 2/20 0.33
MET P08581 2/20 0.33
PDGFRB P09619 2/20 0.33
FGFR1 P11362 2/20 0.33
FLT3 P36888 2/20 0.33

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
Bromide SCHEMBL7867606 0.98 LIMK1 (0.40) LIMK1DYRK1BCHEK1GRK5CSNK1A1
SCHEMBL10646511 0.70 ALDH1A1 (0.43) LIMK1DYRK1BCHEK1GRK5CSNK1A1
SCHEMBL31649988 0.69 ADORA3 (0.38) NR4A1NR4A2
SCHEMBL29756180 0.68 SMN1; SMN2 (0.42) LIMK1DYRK1BCHEK1GRK5CSNK1A1
SCHEMBL8100833 0.67 RAB9A (0.33) RAB9AKMT2AALDH1A1
SCHEMBL3582788 0.67 NUDT1 (0.39) DYRK1BCHEK1LRRK2CLK4LTK
SCHEMBL8099491 0.66
SCHEMBL8106672 0.66
Bromide SCHEMBL4063563 0.66 RAB9A (0.32) RAB9AKMT2A
SCHEMBL4059934 0.66 CHEK1 (0.35) LIMK1DYRK1BCHEK1GRK5CSNK1A1

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
US-6130335-A N-([1,2,4]triazoloazinyl) benzenesulfonamide and pyridinesulfonamide compounds and their use as herbicides DOW AGROSCIENCES LLC (US) 2000-10-10 US disclosed
US-6005108-A POST-EMERGENCE TOTAL VEGETATION CONTROL OR SELECTIVE CONTROL OF WEEDS IN WHEAT, RICE AND OIL-SEED RAPE CROPS JOHNSON TIMOTHY C (US) 1999-12-21 US disclosed
US-5965490-A NOVEL COMPOUNDS WITH IMPROVED SELECTIVITY TO VALUABLE CROPS AND IMPROVED TOXICOLOGICAL AND ENVIRONMENTAL ATTRIBUTES; APPLYING TO CONTROL WEEDS BY EITHER PREEMERGENCE OR POSTEMERGENCE APPLICATION DOW AGROSCIENCES LLC (US) 1999-10-12 US disclosed