SCHEMBL4040322

SCHEMBL4040322

COc1ccccc1Nc1nc(N)n(-c2cc(Cl)ncn2)n1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 11/20 0.67
IRAK4 Q9NWZ3 7/20 0.67
KIT P10721 5/20 0.67
AURKA O14965 4/20 0.66
AXL P30530 1/20 0.50
JAK2 O60674 1/20 0.50
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LRRK2 Q5S007 1/20 0.43
EGFR P00533 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
FGFR3 P22607 1/20 0.41

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
SCHEMBL12779832 0.84 FLT3 (0.70) FLT3IRAK4KITAURKAAXL
SCHEMBL4037845 0.83 FLT3 (0.61) FLT3IRAK4KITAURKAAXL
SCHEMBL4036886 0.82 FLT3 (0.67) FLT3IRAK4KITAURKAAXL
SCHEMBL14369678 0.82 FLT3 (0.84) FLT3IRAK4KITAURKAAXL
SCHEMBL4036426 0.81 FLT3 (1.00) FLT3IRAK4KITAURKAAXL
SCHEMBL2086579 0.80 FLT3 (0.48) FLT3IRAK4KITAURKAAXL
SCHEMBL4041296 0.80 FLT3 (0.73) FLT3IRAK4KITAURKAAXL
SCHEMBL4038649 0.80 FLT3 (1.00) FLT3IRAK4KITAURKAAXL
SCHEMBL4037088 0.80 FLT3 (0.57) FLT3IRAK4KITAURKAAXL
SCHEMBL12779908 0.80 FLT3 (0.64) FLT3IRAK4KITAURKAAXL

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-1562589-B1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2009-01-07 EP disclosed