SCHEMBL458023

SCHEMBL458023

OCCNc1cc(Br)nn2c(I)cnc12

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
CDK1 P06493 1/20 0.32
BRD4 O60885 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
GAA P10253 2/20 0.31
FLT3 P36888 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP2C19 P33261 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
SCHEMBL456244 0.83 TTK (0.33)
SCHEMBL17425400 0.74 ERN1 (0.40)
SCHEMBL457166 0.74 TTK (0.42)
SCHEMBL457469 0.72 ABL1 (0.30)
SCHEMBL456366 0.67 ERN1 (0.34)
SCHEMBL470056 0.66 KDM4E (0.31) KDM4EALDH1A1POLB
SCHEMBL455120 0.65 TTK (0.36)
SCHEMBL2942562 0.64 MKNK1 (0.61)
SCHEMBL104696 0.63 TTK (0.36) POLBMEN1KMT2A
SCHEMBL458996 0.62 ERN1 (0.36) FLT3

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