SCHEMBL4042422

SCHEMBL4042422

CCC(Nc1cc(-n2nc(Nc3ccccc3)nc2N)ncn1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 10/20 0.46
KIT P10721 6/20 0.46
AURKA O14965 2/20 0.46
IRAK4 Q9NWZ3 2/20 0.46
JAK2 O60674 2/20 0.41
JAK3 P52333 1/20 0.41
AXL P30530 4/20 0.40
LMNA P02545 1/20 0.37
MAPK10 P53779 1/20 0.37
BACE1 P56817 2/20 0.37
MAPT P10636 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
SCHEMBL12780482 1.00 FLT3 (0.46) FLT3KITAURKAIRAK4JAK2
SCHEMBL12780484 1.00 FLT3 (0.46) FLT3KITAURKAIRAK4JAK2
SCHEMBL4038722 0.90 FLT3 (0.44) FLT3KITAURKAIRAK4JAK2
SCHEMBL12780393 0.90 FLT3 (0.44) FLT3KITAURKAIRAK4JAK2
SCHEMBL12780389 0.90 FLT3 (0.44) FLT3KITAURKAIRAK4JAK2
SCHEMBL4042917 0.88 FLT3 (0.43) FLT3KITAURKAIRAK4JAK2
SCHEMBL12780487 0.88 FLT3 (0.43) FLT3KITAURKAIRAK4JAK2
SCHEMBL4038128 0.83 FLT3 (0.47) FLT3KITAURKAIRAK4JAK2
SCHEMBL12780516 0.83 FLT3 (0.47) FLT3KITAURKAIRAK4JAK2
SCHEMBL12779811 0.83 FLT3 (0.50) FLT3KITAURKAIRAK4JAK2

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