SCHEMBL4043796

SCHEMBL4043796

Nc1nc(Nc2ccc(N3CCOCC3)cc2F)nn1-c1cc(Cl)ncn1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 8/20 0.61
KIT P10721 6/20 0.61
IRAK4 Q9NWZ3 3/20 0.61
JAK2 O60674 1/20 0.61
AURKA O14965 2/20 0.52
MAPK9 P45984 2/20 0.47
MAPK10 P53779 2/20 0.47
AXL P30530 2/20 0.44
INSR P06213 1/20 0.40
ALK Q9UM73 1/20 0.40
JAK3 P52333 1/20 0.40
LRRK2 Q5S007 2/20 0.39
POLB P06746 1/20 0.39
AURKB Q96GD4 1/20 0.38
BTK Q06187 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38

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
SCHEMBL4041943 0.87 FLT3 (0.57) FLT3KITIRAK4JAK2AURKA
SCHEMBL2086645 0.86 FLT3 (0.66) FLT3KITIRAK4JAK2AURKA
SCHEMBL12780406 0.85 FLT3 (0.61) FLT3KITIRAK4JAK2AURKA
SCHEMBL12780661 0.84 FLT3 (0.55) FLT3KITIRAK4JAK2AURKA
SCHEMBL12780659 0.84 FLT3 (0.55) FLT3KITIRAK4JAK2AURKA
SCHEMBL4043570 0.84 FLT3 (0.55) FLT3KITIRAK4JAK2AURKA
SCHEMBL12780409 0.84 FLT3 (0.57) FLT3KITIRAK4JAK2AURKA
SCHEMBL12845295 0.84 FLT3 (0.55) FLT3KITIRAK4JAK2AURKA
SCHEMBL12780748 0.83 FLT3 (0.86) FLT3KITIRAK4JAK2AURKA
SCHEMBL4039634 0.83 FLT3 (0.45) FLT3KITIRAK4JAK2AURKA

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