SCHEMBL20161291

SCHEMBL20161291

COc1n[nH]c(C(=N)c2cccnc2NCc2ccccc2F)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
KDM4E B2RXH2 2/20 0.37
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NTRK1 P04629 2/20 0.34
NPC1 O15118 1/20 0.34
GLA P06280 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NTRK3 Q16288 1/20 0.34
NTRK2 Q16620 1/20 0.34
SLC26A6 Q9BXS9 1/20 0.34
CASP6 P55212 2/20 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
SCHEMBL20161209 0.87 AURKA (0.40) LMNAKDM4EAURKARPS6KB1MEN1
SCHEMBL20149081 0.83 KDM4E (0.38) LMNAKDM4EAURKARPS6KB1MEN1
SCHEMBL20161301 0.82 SMN1; SMN2 (0.55) LMNAMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL20161113 0.80 RPS6KB1 (0.41) LMNAKDM4EAURKARPS6KB1MEN1
SCHEMBL20161518 0.79 CASP6 (0.43) LMNAKDM4EAURKARPS6KB1MEN1
SCHEMBL20161118 0.78 CSNK1D (0.46) KDM4ESMN1; SMN2POLBGAAALDH1A1
SCHEMBL20161268 0.77 ACHE (0.36) LMNAKDM4EAURKARPS6KB1MEN1
SCHEMBL20161340 0.77 CYP11B1 (0.35) LMNAKDM4EAURKARPS6KB1MEN1
SCHEMBL20161335 0.77 KDM4E (0.37) LMNAKDM4EAURKARPS6KB1MEN1
SCHEMBL22874060 0.73 AURKA (0.43) LMNAKDM4EAURKARPS6KB1MEN1

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-2018089330-A2 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed