SCHEMBL456224

SCHEMBL456224

CNC(=O)c1ccc(-c2cnc3c(NCC4CCOCC4)cc(Oc4ccc(OC)c(F)c4)nn23)cc1C

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TTK P33981 19/20 0.78
FYN P06241 1/20 0.48

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
SCHEMBL458770 0.95 TTK (0.74) TTK
SCHEMBL458692 0.94 TTK (0.76) TTK
SCHEMBL17425437 0.93 TTK (0.76) TTKFYN
SCHEMBL17590101 0.93 TTK (0.67) TTK
SCHEMBL17590103 0.91 TTK (0.69) TTK
SCHEMBL17590102 0.89 TTK (0.66) TTK
SCHEMBL457087 0.88 TTK (0.84) TTK
SCHEMBL15554760 0.88 TTK (0.72) TTK
SCHEMBL10279273 0.88 TTK (0.71) TTKFYN
SCHEMBL15554470 0.88 TTK (1.00) TTK

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 4 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