SCHEMBL20561663

SCHEMBL20561663

Cc1nscc1-c1c[nH]c2ncc(F)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 6/20 0.39
GSK3B P49841 6/20 0.39
FLT3 P36888 5/20 0.39
PIK3CG P48736 5/20 0.39
SRC P12931 4/20 0.39
ROCK1 Q13464 4/20 0.39
JAK2 O60674 3/20 0.39
ROCK2 O75116 3/20 0.39
KDR P35968 3/20 0.39
PLK1 P53350 2/20 0.39
IRAK4 Q9NWZ3 2/20 0.39
CDK2 P24941 1/20 0.39
KIT P10721 3/20 0.38
CLK1 P49759 1/20 0.37
CLK2 P49760 1/20 0.37
DYRK1A Q13627 1/20 0.37
DYRK2 Q92630 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
MAP3K11 Q16584 2/20 0.37

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
SCHEMBL20561654 0.81 CCNT1 (0.39) GSK3AGSK3BFLT3CDK2KIT
SCHEMBL20561665 0.80 KIT (0.41) PIK3CGKITAXLCDK8TNIK
SCHEMBL20561743 0.77 KIT (0.39) GSK3AGSK3BFLT3PIK3CGSRC
SCHEMBL22963813 0.75 GSK3A (0.41) GSK3AGSK3BFLT3PIK3CGSRC
SCHEMBL20846122 0.74 KIT (0.51) FLT3JAK2ROCK2KDRIRAK4
SCHEMBL9967203 0.73 GSK3A (0.43) GSK3AGSK3BFLT3PIK3CGSRC
SCHEMBL24059791 0.72 GSK3A (0.48) GSK3AGSK3BFLT3PIK3CGSRC
SCHEMBL22837806 0.72 GSK3A (0.47) GSK3AGSK3BFLT3PIK3CGSRC
SCHEMBL19928487 0.72 GSK3A (0.53) GSK3AGSK3BFLT3PIK3CGSRC
SCHEMBL14041214 0.72 MET (0.43) GSK3AGSK3BKITCYP3A4AXL

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
WO-2018210661-A1 HETEROARYL COMPOUNDS AS AGROCHEMICAL FUNGICIDES BASF SE (DE) 2018-11-22 WO disclosed