SCHEMBL469906

SCHEMBL469906

CCNC(C)CNc1cc(Cl)nn2c(-c3ccc(C(=O)NC4CC4)c(C)c3)cnc12

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TTK P33981 19/20 0.54
ERN1 O75460 1/20 0.46

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
SCHEMBL462985 0.91 TTK (0.64) TTK
SCHEMBL455402 0.86 TTK (0.57) TTK
SCHEMBL17590082 0.86 TTK (0.57) TTK
SCHEMBL454931 0.85 TTK (0.61) TTK
SCHEMBL458319 0.85 TTK (0.57) TTKERN1
SCHEMBL459378 0.85 TTK (0.57) TTKERN1
SCHEMBL469905 0.84 TTK (0.57) TTKERN1
SCHEMBL470128 0.84 TTK (0.61) TTKERN1
SCHEMBL456455 0.83 TTK (0.71) TTK
SCHEMBL470159 0.83 TTK (0.59) 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