SCHEMBL10278670

SCHEMBL10278670

O=C(Nc1cnccc1[C@H]1C[C@@H](O)[C@H]2CCC[C@H]2O1)c1cccn(-c2ccccc2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 8/20 0.38
RIPK3 Q9Y572 5/20 0.38
AXL P30530 5/20 0.35
TYRO3 Q06418 4/20 0.35
F10 P00742 1/20 0.35
MERTK Q12866 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RIPK2 O43353 1/20 0.34
KDR P35968 1/20 0.34
TYK2 P29597 1/20 0.34
RIPK1 Q13546 1/20 0.33

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
SCHEMBL10278669 0.82 MET (0.38) METRIPK3AXLTYRO3F10
SCHEMBL14892188 0.80 MET (0.37) METRIPK3AXLTYRO3F10
SCHEMBL14892798 0.80 MET (0.37) METRIPK3AXLTYRO3F10
SCHEMBL1911277 0.79 MAPT (0.37)
SCHEMBL1911293 0.79 PIM1 (0.37) MET
SCHEMBL1911219 0.77 MAPT (0.37)
SCHEMBL10278595 0.74 GSK3B (0.54)
SCHEMBL1910956 0.71 PIM1 (0.64)
SCHEMBL1911216 0.69 PIM1 (0.63)
SCHEMBL1911275 0.69 CYP3A4 (0.58)

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
WO-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 WO disclosed