SCHEMBL459267

SCHEMBL459267

CC(C)CNc1cc(Cl)nn2c(-c3ccc4c(NC5CC5)noc4c3)cnc12

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TTK P33981 6/20 0.46
ERN1 O75460 14/20 0.44

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
SCHEMBL462792 0.85 ERN1 (0.43) TTKERN1
SCHEMBL104538 0.75 TTK (0.77) TTK
SCHEMBL470128 0.75 TTK (0.61) TTKERN1
SCHEMBL456540 0.74 TTK (0.47) TTKERN1
SCHEMBL462985 0.74 TTK (0.64) TTK
SCHEMBL470209 0.74 TTK (0.56) TTKERN1
SCHEMBL458814 0.71 TTK (0.52) TTKERN1
SCHEMBL15559752 0.70 TTK (0.55) TTKERN1
SCHEMBL10279180 0.70 TTK (0.56) TTKERN1
SCHEMBL458691 0.70 ERN1 (0.44) TTKERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014020041-A1 COMBINATIONS FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-02-06 WO claimed
EP-2614063-A1 SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Intellectual Property GmbH (DE) 2013-07-17 EP claimed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO claimed
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
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed