SCHEMBL4040941

SCHEMBL4040941

Nc1nc(Nc2ccc(N3CCOCC3)cc2)nn1-c1cc(N2CCCC(CO)C2)ncn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 10/20 0.54
KIT P10721 7/20 0.54
AXL P30530 4/20 0.47
BACE1 P56817 2/20 0.46
LRRK2 Q5S007 2/20 0.45
IRAK4 Q9NWZ3 3/20 0.44
JAK2 O60674 1/20 0.44
MAP4K4 O95819 1/20 0.43
AURKA O14965 1/20 0.43
ABL1 P00519 1/20 0.42
LCK P06239 1/20 0.42
LYN P07948 1/20 0.42
MET P08581 1/20 0.42
PDGFRB P09619 1/20 0.42
SRC P12931 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
JAK3 P52333 1/20 0.42
TEK Q02763 1/20 0.42
KARS1 Q15046 1/20 0.42

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
SCHEMBL12780695 1.00 FLT3 (0.54) FLT3KITAXLBACE1LRRK2
SCHEMBL12780698 1.00 FLT3 (0.54) FLT3KITAXLBACE1LRRK2
SCHEMBL4045421 0.88 FLT3 (0.60) FLT3KITLRRK2IRAK4JAK2
SCHEMBL12780730 0.88 FLT3 (0.60) FLT3KITLRRK2IRAK4JAK2
SCHEMBL14275569 0.85 FLT3 (0.65) FLT3KITAXLBACE1IRAK4
SCHEMBL4045933 0.85 FLT3 (0.70) FLT3KITAXLBACE1IRAK4
SCHEMBL2087422 0.82 FLT3 (0.64) FLT3KITAXLBACE1LRRK2
SCHEMBL4042526 0.81 AXL (0.59) FLT3KITAXLBACE1IRAK4
SCHEMBL4043327 0.81 FLT3 (0.58) FLT3KITAXLBACE1IRAK4
SCHEMBL4036171 0.81 FLT3 (0.60) FLT3KITAXLBACE1IRAK4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1989187-A4 2-(PHENYL OR HETEROCYCLIC) - 1H-PHENANTHRO (9,10-D) IMIDAZOLES MERCK FROSST CANADA LTD (CA) 2009-07-08 EP disclosed
EP-1562589-B1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2009-01-07 EP disclosed
EP-1989187-A1 2-(PHENYL OR HETEROCYCLIC) - 1H-PHENANTHRO (9,10-D) IMIDAZOLES Merck Frosst Canada Ltd. (CA) 2008-11-12 EP disclosed
WO-2007095753-A1 2-(PHENYL OR HETEROCYCLIC) - 1H-PHENANTHRO [9,10-D] IMIDAZOLES MERCK FROSST CANADA LTD. (CA) 2007-08-30 WO disclosed