SCHEMBL458421

SCHEMBL458421

CC(C)(O)CNc1cc(Br)nn2c(I)cnc12

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.36
PIM1 P11309 1/20 0.31
IRAK4 Q9NWZ3 2/20 0.31
MAPK14 Q16539 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
SCHEMBL455120 0.84 TTK (0.36) TTKPIM1IRAK4
SCHEMBL458023 0.81 IKBKB (0.32)
SCHEMBL456244 0.78 TTK (0.33) TTKIRAK4
SCHEMBL457469 0.70 ABL1 (0.30)
SCHEMBL18345047 0.63 IRAK4 (0.34) PIM1IRAK4
SCHEMBL456366 0.62 ERN1 (0.34) TTKIRAK4
SCHEMBL25029145 0.62 IDH2 (0.33) PIM1IRAK4
SCHEMBL29363734 0.62 IDH2 (0.33) PIM1IRAK4
SCHEMBL19761031 0.62 TLR9 (0.42) IRAK4
SCHEMBL21047151 0.62 IDH2 (0.37) PIM1IRAK4MAPK14

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-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
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed