SCHEMBL17596608

SCHEMBL17596608

CC1(NC(=O)c2cc3cccnc3c(-c3ccccc3)c2C(F)(F)F)N=NN=N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.40
TOP1 P11387 2/20 0.37
UBE2N P61088 2/20 0.36
EGLN1 Q9GZT9 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
RAD52 P43351 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
PTPN6 P29350 1/20 0.35
PTPN11 Q06124 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
PLK4 O00444 1/20 0.34
MAP4K4 O95819 1/20 0.34
EGFR P00533 1/20 0.34
ROS1 P08922 1/20 0.34
PIM1 P11309 1/20 0.34

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) L3MBTL1EGLN1PTPN6PTPN11PLK4
SCHEMBL17596182 0.84 KMT2A (0.37) L3MBTL1EGLN1PLK4MAP4K4EGFR
SCHEMBL17595555 0.84 KMT2A (0.39) EGLN1PDE4A
SCHEMBL17596566 0.83 PDE4A (0.37) EGLN1CYP2C9PDE4APDE4BPDE4C
SCHEMBL17596120 0.80 L3MBTL1 (0.50) L3MBTL1TOP1UBE2NEGLN1CYP1A2
SCHEMBL17596123 0.76 NPC1 (0.40) PDE4APDE4BPDE4CPDE4D
SCHEMBL17596178 0.75 ATR (0.39) L3MBTL1CYP2C9PDE4APDE4BPDE4C
SCHEMBL17596190 0.75 POLB (0.47) L3MBTL1EGLN1CYP1A2CYP3A4CYP2D6
SCHEMBL17596186 0.74 ALDH1A1 (0.46) L3MBTL1TOP1CYP1A2CYP2C9
SCHEMBL17596451 0.66 MEN1 (0.50) L3MBTL1EGLN1AXL

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