SCHEMBL457090

SCHEMBL457090

Cc1cc(-c2cnc3c(NC[C@@H]4CCCO4)cc(-c4ccncc4)nn23)ccc1C(=O)NC1CC1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TTK P33981 20/20 0.61

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
SCHEMBL470012 1.00 TTK (0.61) TTK
SCHEMBL10279085 1.00 TTK (0.61) TTK
SCHEMBL10279088 0.98 TTK (0.62) TTK
SCHEMBL15555004 0.91 TTK (0.59) TTK
SCHEMBL17425431 0.91 TTK (0.60) TTK
SCHEMBL462564 0.91 TTK (0.60) TTK
SCHEMBL470007 0.91 TTK (0.60) TTK
SCHEMBL457597 0.88 TTK (0.64) TTK
SCHEMBL457118 0.88 TTK (0.64) TTK
SCHEMBL462019 0.88 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 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-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