SCHEMBL17425399

SCHEMBL17425399

Cc1cc(-c2cnc3c(NCC4CC[S+]([O-])C4)cc(Oc4cccc(F)c4)nn23)ccc1C(=O)NC1CC1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TTK P33981 20/20 0.64
CYP3A4 P08684 1/20 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
SCHEMBL17590089 0.96 TTK (0.66) TTKCYP3A4
SCHEMBL459153 0.96 TTK (0.66) TTKCYP3A4
SCHEMBL15556532 0.89 TTK (0.80) TTKCYP3A4
SCHEMBL459325 0.89 TTK (0.68) TTKCYP3A4
SCHEMBL455821 0.89 TTK (0.68) TTK
SCHEMBL455615 0.89 TTK (0.68) TTKCYP3A4
SCHEMBL469953 0.89 TTK (0.66) TTKCYP3A4
SCHEMBL459033 0.88 TTK (0.72) TTKCYP3A4
SCHEMBL470289 0.88 TTK (0.77) TTKCYP3A4
SCHEMBL10279714 0.88 TTK (0.67) 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
EP-2614063-B1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2016-01-13 EP disclosed