SCHEMBL8530609

SCHEMBL8530609

FC(F)(F)c1cc(CN2CCOCC2)cc(OC2CCNCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 9/20 0.42
SYK P43405 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PSMD14 O00487 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
LOX P28300 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
UTS2R Q9UKP6 1/20 0.38
KDM1A O60341 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36
LRRK2 Q5S007 1/20 0.36

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
SCHEMBL8543452 0.90 LOXL2 (0.44) LOXL2SYKMEN1KMT2ALOX
SCHEMBL8579703 0.90 LOXL2 (0.44) LOXL2SYKMEN1KMT2AALDH1A1
SCHEMBL21128589 0.83 LOXL2 (0.43) LOXL2SYKLOX
SCHEMBL8546451 0.83 LOXL2 (0.45) LOXL2SYKLOX
SCHEMBL8531463 0.82 LOXL2 (0.41) LOXL2LOXUTS2R
SCHEMBL8531616 0.82 LOXL2 (0.43) LOXL2SYKMEN1KMT2ALOX
SCHEMBL15390231 0.80 LOXL2 (0.44) LOXL2SYKLOX
SCHEMBL8541968 0.80 LOXL2 (0.54) LOXL2LOX
SCHEMBL23473283 0.80 LOXL2 (0.42) LOXL2SYKLOX
SCHEMBL29728676 0.79 AXL (0.48) LOXL2MEN1KMT2AALDH1A1LOX

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-2012068450-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2012-05-24 WO disclosed