SCHEMBL457191

SCHEMBL457191

Cc1cc(-c2cnc3c(NCC4CC[S+]([O-])CC4)cc(Sc4ccccc4)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
SCHEMBL15556797 1.00 TTK (0.58) TTK
SCHEMBL457192 1.00 TTK (0.58) TTK
SCHEMBL456123 0.93 TTK (0.56) TTK
SCHEMBL457167 0.93 TTK (0.56) TTK
SCHEMBL456124 0.93 TTK (0.56) TTK
SCHEMBL455452 0.91 TTK (0.60) TTK
SCHEMBL12467150 0.90 TTK (0.59) TTK
SCHEMBL12467152 0.90 TTK (0.59) TTK
SCHEMBL462580 0.86 TTK (0.63) TTK
SCHEMBL456416 0.86 TTK (0.64) 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 3 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