SCHEMBL457308

SCHEMBL457308

CC1(C)OC[C@H]([C@@H](O)CNc2cc(Cl)nn3c(I)cnc23)O1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 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
SCHEMBL457174 0.78 TTK (0.56) ERN1
SCHEMBL104696 0.74 TTK (0.36) ERN1
SCHEMBL462238 0.73 ERN1 (0.33) ERN1
SCHEMBL456353 0.71 ERN1 (0.32) ERN1
SCHEMBL10279254 0.70 ERN1 (0.32) ERN1
SCHEMBL10279505 0.70 ERN1 (0.32) ERN1
SCHEMBL455120 0.69 TTK (0.36) ERN1
SCHEMBL458151 0.67 ERN1 (0.33) ERN1
SCHEMBL458996 0.67 ERN1 (0.36) ERN1
SCHEMBL455915 0.67 SCN5A (0.42) ERN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255100-B2 Substituted imidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-09 US disclosed
EP-2614063-B1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2016-01-13 EP disclosed
EP-2614063-B1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2016-01-13 EP disclosed
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