SCHEMBL17907115

SCHEMBL17907115

CN1CCC(Nc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 14/20 0.46
ATM Q13315 6/20 0.46
FLT3 P36888 2/20 0.34
LCK P06239 1/20 0.34
RET P07949 1/20 0.34
PDGFRA P16234 1/20 0.34
KDR P35968 1/20 0.34
ALK Q9UM73 1/20 0.34

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
SCHEMBL17819894 0.97 PIK3C3 (0.43) PIK3C3ATMFLT3
SCHEMBL17819547 0.96 PIK3C3 (0.44) PIK3C3ATMFLT3LCKRET
SCHEMBL17820213 0.94 PIK3C3 (0.45) PIK3C3ATMFLT3LCKRET
SCHEMBL17819524 0.92 PIK3C3 (0.42) PIK3C3ATM
SCHEMBL17820662 0.92 PIK3C3 (0.44) PIK3C3ATM
SCHEMBL17819695 0.92 PIK3C3 (0.45) PIK3C3ATM
SCHEMBL17819767 0.92 PIK3C3 (0.43) PIK3C3ATM
SCHEMBL17821119 0.92 PIK3C3 (0.43) PIK3C3ATM
SCHEMBL17820921 0.91 PIK3C3 (0.44) PIK3C3ATMFLT3
SCHEMBL17820919 0.91 PIK3C3 (0.44) PIK3C3ATMFLT3

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-3042900-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF Fujifilm Corporation (JP) 2016-07-13 EP disclosed