SCHEMBL17590102

SCHEMBL17590102

CNC(=O)c1ccc(-c2cnc3c(NCC4CCOCC4)cc(Oc4cccc(F)c4)nn23)cc1C

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TTK P33981 20/20 0.66
CYP3A4 P08684 2/20 0.47

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
SCHEMBL470289 0.93 TTK (0.77) TTKCYP3A4
SCHEMBL17590101 0.91 TTK (0.67) TTK
SCHEMBL458970 0.90 TTK (0.71) TTK
SCHEMBL469951 0.89 TTK (0.73) TTKCYP3A4
SCHEMBL17590103 0.89 TTK (0.69) TTK
SCHEMBL456224 0.89 TTK (0.78) TTK
SCHEMBL17590105 0.87 TTK (0.69) TTK
SCHEMBL15556532 0.87 TTK (0.80) TTKCYP3A4
SCHEMBL458770 0.86 TTK (0.74) TTK
SCHEMBL455615 0.86 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255100-B2 Substituted imidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-09 US disclosed