SCHEMBL17596182

SCHEMBL17596182

CSc1c(C(=O)NC2(C)N=NN=N2)cc2cccnc2c1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 1/20 0.37
PDE4A P27815 5/20 0.34
PDE4B Q07343 3/20 0.34
PDE4D Q08499 3/20 0.34
PDE4C Q08493 2/20 0.34
EGLN1 Q9GZT9 2/20 0.33
KDR P35968 1/20 0.33
PLK4 O00444 1/20 0.32
MAP4K4 O95819 1/20 0.32
EGFR P00533 1/20 0.32
ROS1 P08922 1/20 0.32
PIM1 P11309 1/20 0.32
AXL P30530 1/20 0.32
FLT3 P36888 1/20 0.32
FRK P42685 1/20 0.32
MAP4K2 Q12851 1/20 0.32
NTRK3 Q16288 1/20 0.32
MINK1 Q8N4C8 1/20 0.32

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
SCHEMBL17596505 0.85 MEN1 (0.38) KMT2AMEN1PDE4APDE4BPDE4D
SCHEMBL17595555 0.84 KMT2A (0.39) KMT2AMEN1NPC1PDE4AEGLN1
SCHEMBL17596608 0.84 L3MBTL1 (0.40) PDE4APDE4BPDE4DPDE4CEGLN1
SCHEMBL17596566 0.83 PDE4A (0.37) KMT2AMEN1PDE4APDE4BPDE4D
SCHEMBL17596123 0.82 NPC1 (0.40) KMT2AMEN1NPC1PDE4APDE4B
SCHEMBL17595920 0.81 ALDH1A1 (0.44) KMT2AMEN1NPC1PDE4APDE4B
SCHEMBL17596178 0.75 ATR (0.39) PDE4APDE4BPDE4DPDE4CL3MBTL1
SCHEMBL17596180 0.75 POLB (0.47) KMT2AMEN1NPC1EGLN1KDR
SCHEMBL17596451 0.66 MEN1 (0.50) KMT2AMEN1EGLN1AXLL3MBTL1
SCHEMBL17596170 0.66 ALDH1A1 (0.47) KMT2AMEN1PDE4APDE4BPDE4D

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-3191465-A1 HERBICIDAL QUINOLINES Syngenta Participations AG (CH) 2017-07-19 EP disclosed
WO-2016038173-A1 HERBICIDAL QUINOLINES SYNGENTA PARTICIPATIONS AG (CH) 2016-03-17 WO disclosed