SCHEMBL20180772

SCHEMBL20180772

FC(F)(F)c1ccccc1-n1c(NSCCc2ccc(Cl)cc2)nnc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 5/20 0.39
HSD11B1 P28845 5/20 0.38
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
LYN P07948 1/20 0.34
PIM1 P11309 1/20 0.34
SRC P12931 1/20 0.34
FLT4 P35916 1/20 0.34
FLT3 P36888 1/20 0.34
BLK P51451 1/20 0.34
KMT2A Q03164 1/20 0.34
AURKB Q96GD4 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
GLA P06280 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 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
SCHEMBL20207356 0.86 APLNR (0.49) APLNRTSHRNPSR1
SCHEMBL20167349 0.80 APLNR (0.61) APLNR
SCHEMBL22812762 0.76 APLNR (0.55) APLNR
SCHEMBL20207351 0.76 PTGS2 (0.48) APLNRTSHRNPSR1
SCHEMBL22812872 0.74 APLNR (0.68) APLNRGLA
SCHEMBL20207465 0.69 APLNR (0.71) APLNR
SCHEMBL22537211 0.69 APLNR (0.70) APLNR
SCHEMBL22537233 0.68 APLNR (0.57) APLNR
SCHEMBL20207605 0.68 APLNR (0.71) APLNR
SCHEMBL20188046 0.67 APLNR (0.73) APLNR

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-3541810-B1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
WO-2018093579-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 WO disclosed