SCHEMBL469976

SCHEMBL469976

Cc1cc(-c2cnc3c(NCC4CCOCC4)cc(NC(C)(C)C(F)(F)F)nn23)ccc1C(=O)NC1CC1

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TTK P33981 20/20 0.84

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
SCHEMBL17590072 0.94 TTK (0.83) TTK
SCHEMBL137089 0.91 TTK (1.00) TTK
SCHEMBL469967 0.88 TTK (1.00) TTK
SCHEMBL19336856 0.87 TTK (0.80) TTK
SCHEMBL17425421 0.86 TTK (0.78) TTK
SCHEMBL105196 0.84 TTK (1.00) TTK
SCHEMBL456217 0.80 TTK (0.69) TTK
SCHEMBL19336860 0.80 TTK (0.69) TTK
SCHEMBL470289 0.80 TTK (0.77) TTK
SCHEMBL16001600 0.80 TTK (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed