SCHEMBL458745

SCHEMBL458745

Cc1cc(-c2cnc3c(NCC4CCSCC4)cc(Sc4ccccc4O)nn23)ccc1C(=O)NC1CC1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TTK P33981 20/20 0.58

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
SCHEMBL10279710 0.92 TTK (0.47) TTK
SCHEMBL455452 0.91 TTK (0.60) TTK
SCHEMBL456228 0.89 TTK (0.58) TTK
SCHEMBL456329 0.88 TTK (0.57) TTK
SCHEMBL17590086 0.87 TTK (0.61) TTK
SCHEMBL470245 0.87 TTK (0.65) TTK
SCHEMBL459287 0.86 TTK (0.58) TTK
SCHEMBL456227 0.85 TTK (0.57) TTK
SCHEMBL455891 0.84 TTK (0.65) TTK
SCHEMBL12467152 0.82 TTK (0.59) 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 5 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
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