SCHEMBL467732

SCHEMBL467732

Nc1nc(Nc2ccc(OCCN3CCCC3)c(Cl)c2)n(-c2cc3c(nn2)-c2ccccc2CCC3)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.49
AXL P30530 12/20 0.46
EGFR P00533 2/20 0.46
SRC P12931 2/20 0.46
KDR P35968 2/20 0.46
AURKA O14965 1/20 0.46
RET P07949 1/20 0.46
MET P08581 1/20 0.46
KIT P10721 1/20 0.46
PDGFRA P16234 1/20 0.46
FLT3 P36888 1/20 0.46
TYRO3 Q06418 1/20 0.46
DDR1 Q08345 1/20 0.46
MERTK Q12866 1/20 0.46
AURKB Q96GD4 1/20 0.46
ALK Q9UM73 1/20 0.46
INSR P06213 1/20 0.42
ERBB2 P04626 1/20 0.38
LTA4H P09960 1/20 0.38
ABL1 P00519 1/20 0.37

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
SCHEMBL30090859 0.88 BACE1 (0.63) BACE1AXLEGFRSRCKDR
SCHEMBL1638014 0.88 BACE1 (0.63) BACE1AXLEGFRSRCKDR
SCHEMBL467716 0.79 AXL (0.69) BACE1AXLEGFRSRCKDR
SCHEMBL30090900 0.79 AXL (0.69) BACE1AXLEGFRSRCKDR
SCHEMBL30121790 0.76 AXL (0.59) AXLEGFRSRCKDRAURKA
SCHEMBL467846 0.76 AXL (0.59) AXLEGFRSRCKDRAURKA
SCHEMBL467603 0.76 AXL (0.69) BACE1AXLEGFRSRCKDR
SCHEMBL467862 0.76 AXL (0.55) AXLEGFRSRCKDRAURKA
SCHEMBL30121612 0.76 AXL (0.77) AXLEGFRSRCKDRAURKA
SCHEMBL467824 0.76 AXL (0.77) AXLEGFRSRCKDRAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2387395-A1 AXL INHIBITORS FOR USE IN COMBINATION THERAPY FOR PREVENTING, TREATING OR MANAGING METASTATIC CANCER Rigel Pharmaceuticals, Inc. (US) 2011-11-23 EP disclosed
US-8040491-B2 Exposure method, substrate stage, exposure apparatus, and device manufacturing method NIKON CORPORATION (JP) 2011-10-18 US disclosed
WO-2010083465-A1 AXL INHIBITORS FOR USE IN COMBINATION THERAPY FOR PREVENTING, TREATING OR MANAGING METASTATIC CANCER RIGEL PHARMACEUTICALS, INC. (US) 2010-07-22 WO disclosed