SCHEMBL457342

SCHEMBL457342

CC(=O)NCCCNc1cc(Oc2cccc(F)c2)nn2c(-c3ccc(C(=O)NC4CC4)c(C)c3)cnc12

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TTK P33981 20/20 0.61
CYP3A4 P08684 1/20 0.49

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
SCHEMBL457505 0.96 TTK (0.62) TTKCYP3A4
SCHEMBL457037 0.95 TTK (0.63) TTKCYP3A4
SCHEMBL457330 0.92 TTK (0.64) TTKCYP3A4
SCHEMBL10279113 0.92 TTK (0.59) TTKCYP3A4
SCHEMBL456052 0.91 TTK (0.64) TTKCYP3A4
SCHEMBL10279713 0.91 TTK (0.64) TTKCYP3A4
SCHEMBL10279265 0.91 TTK (0.61) TTKCYP3A4
SCHEMBL10279543 0.90 TTK (0.65) TTKCYP3A4
SCHEMBL17416363 0.90 TTK (0.60) TTKCYP3A4
SCHEMBL17416371 0.90 TTK (0.60) 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
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
EP-2614063-B1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2016-01-13 EP disclosed