SCHEMBL457318

SCHEMBL457318

O=C(O)N(CCC(F)(F)F)c1cc(OC2CCCC2)nn2ccnc12

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 1/20 0.34
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
HCRTR2 O43614 1/20 0.32
FFAR4 Q5NUL3 2/20 0.32
KCNQ3 O43525 4/20 0.31
KCNQ2 O43526 4/20 0.31
ACACB O00763 1/20 0.31
LOX P28300 1/20 0.30
LOXL2 Q9Y4K0 1/20 0.30

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
SCHEMBL17425405 0.90 JAK2 (0.32) JAK2JAK3ACACB
SCHEMBL139126 0.78 TTK (0.41) LNPEPFFAR4KCNQ3KCNQ2LOX
SCHEMBL463124 0.75 TTK (0.35) LOXLOXL2
SCHEMBL105318 0.73 TTK (0.37)
SCHEMBL12986075 0.68 L3MBTL1 (0.42) HCRTR2
SCHEMBL140937 0.67 LNPEP (0.34) LNPEPACACB
SCHEMBL455869 0.65 TYK2 (0.41)
SCHEMBL140752 0.65 TTK (0.36)
SCHEMBL141128 0.64 ACACB (0.31) LNPEPACACB
SCHEMBL138064 0.64 OPRM1 (0.33)

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-2614063-A1 SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Intellectual Property GmbH (DE) 2013-07-17 EP disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed