SCHEMBL20530291

SCHEMBL20530291

NC(=O)c1cc(-c2ccc3nnn(Cc4cccc5cccnc45)c3n2)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.38
MET P08581 11/20 0.38
ADORA2A P29274 4/20 0.38
ADORA1 P30542 4/20 0.38
PDE10A Q9Y233 1/20 0.37
PLK4 O00444 1/20 0.36
MAP4K4 O95819 1/20 0.36
EGFR P00533 1/20 0.36
ROS1 P08922 1/20 0.36
PIM1 P11309 1/20 0.36
AXL P30530 1/20 0.36
FLT3 P36888 1/20 0.36
FRK P42685 1/20 0.36
MAP4K2 Q12851 1/20 0.36
NTRK3 Q16288 1/20 0.36
MINK1 Q8N4C8 1/20 0.36
AURKB Q96GD4 1/20 0.36
HIPK2 Q9H2X6 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL20530371 0.93 MET (0.43) PARP1METADORA2AADORA1PDE10A
SCHEMBL20530305 0.90 PARP1 (0.39) PARP1METADORA2AADORA1PLK4
SCHEMBL20530328 0.88 MKNK2 (0.39) PARP1METADORA2AADORA1PLK4
SCHEMBL20530360 0.88 SLC22A12 (0.40) PARP1METADORA2AADORA1PLK4
SCHEMBL20530300 0.88 MET (0.40) PARP1METADORA2AADORA1SLC22A12
SCHEMBL20530304 0.87 ADORA2A (0.38) PARP1METADORA2AADORA1SLC22A12
SCHEMBL20530285 0.86 PDE4A (0.39) PARP1METADORA2AADORA1SLC22A12
SCHEMBL20530354 0.85 AR (0.39) PARP1METADORA2AADORA1MAP4K4
SCHEMBL1330889 0.85 MET (0.54) METPDE10A
SCHEMBL20530349 0.84 MET (0.48) METADORA2AADORA1PDE10A

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-2571878-B1 NOVEL 3,5-DISUBSTITUED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUED -3H-[1,2,3]TRIAZOLO[4,5-B]PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES INCOZEN THERAPEUTICS PVT LTD (IN) 2018-10-17 EP claimed