SCHEMBL455433

SCHEMBL455433

Cc1cc(-c2cnc3c(NCC4CCS(=O)(=O)CC4)cc(Oc4cccc(F)c4)nn23)ccc1C(=O)NC1CC1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TTK P33981 20/20 0.66
CYP3A4 P08684 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
SCHEMBL469953 0.97 TTK (0.66) TTKCYP3A4
SCHEMBL455434 0.95 TTK (0.66) TTKCYP3A4
SCHEMBL15554816 0.93 TTK (0.66) TTKCYP3A4
SCHEMBL10279714 0.93 TTK (0.67) TTKCYP3A4
SCHEMBL17416387 0.93 TTK (0.69) TTK
SCHEMBL455615 0.92 TTK (0.68) TTKCYP3A4
SCHEMBL459325 0.92 TTK (0.68) TTKCYP3A4
SCHEMBL470035 0.92 TTK (0.55) TTK
SCHEMBL470289 0.91 TTK (0.77) TTKCYP3A4
SCHEMBL17416392 0.91 TTK (0.68) TTKCYP3A4

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
EP-2614063-B1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2016-01-13 EP 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