SCHEMBL3966895

SCHEMBL3966895

CN1CCC(c2ccc(Nc3nc(N)n(-c4ncnc5ccccc45)n3)cc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AXL P30530 17/20 0.77
INSR P06213 10/20 0.73
KDR P35968 9/20 0.73
FLT3 P36888 4/20 0.66
KIT P10721 2/20 0.66
BACE1 P56817 1/20 0.47
ABL1 P00519 1/20 0.47
LCK P06239 1/20 0.47
LYN P07948 1/20 0.47
MET P08581 1/20 0.47
PDGFRB P09619 1/20 0.47
SRC P12931 1/20 0.47
FGFR3 P22607 1/20 0.47
JAK3 P52333 1/20 0.47
TEK Q02763 1/20 0.47
KARS1 Q15046 1/20 0.47

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
SCHEMBL3958618 0.87 AXL (1.00) AXLINSRKDRFLT3KIT
SCHEMBL29929865 0.87 AXL (1.00) AXLINSRKDRFLT3KIT
SCHEMBL4248815 0.87 FLT3 (0.65) AXLINSRKDRFLT3KIT
SCHEMBL29928442 0.86 FLT3 (0.69) AXLINSRKDRFLT3KIT
SCHEMBL4986533 0.86 FLT3 (0.69) AXLINSRKDRFLT3KIT
SCHEMBL4997718 0.85 AXL (1.00) AXLINSRKDRFLT3KIT
SCHEMBL3963556 0.83 AXL (0.89) AXLINSRKDRFLT3KIT
SCHEMBL29928415 0.83 AXL (0.89) AXLINSRKDRFLT3KIT
SCHEMBL4038099 0.79 FLT3 (1.00) AXLINSRKDRFLT3KIT
SCHEMBL29927682 0.76 AXL (0.77) AXLINSRKDRFLT3KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079736-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2009-07-22 EP claimed
WO-2008083356-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-07-10 WO claimed