SCHEMBL458996

SCHEMBL458996

CC(C)(N)CNc1cc(Cl)nn2c(I)cnc12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 10/20 0.36
KIT P10721 1/20 0.34
PIM1 P11309 1/20 0.34
FLT3 P36888 1/20 0.34
CDK7 P50613 1/20 0.34
KCNH2 Q12809 1/20 0.34
PIM3 Q86V86 1/20 0.34
HASPIN Q8TF76 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
LATS1 O95835 1/20 0.32
PRKCH P24723 1/20 0.31
PRKCE Q02156 1/20 0.31
PRKCQ Q04759 1/20 0.31
PRKCD Q05655 1/20 0.31

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 0.87 TTK (0.36) ERN1PIM1
SCHEMBL458151 0.85 ERN1 (0.33) ERN1
SCHEMBL104696 0.80 TTK (0.36) ERN1
SCHEMBL30677261 0.79 ERN1 (0.33) ERN1
SCHEMBL31285448 0.79 TYK2 (0.34) ERN1
SCHEMBL456366 0.78 ERN1 (0.34) ERN1
SCHEMBL10279505 0.78 ERN1 (0.32) ERN1
SCHEMBL462239 0.76 ERN1 (0.33) ERN1
SCHEMBL10279254 0.75 ERN1 (0.32) ERN1
SCHEMBL470001 0.74 KCNN1 (0.44)

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 3 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-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