SCHEMBL462456

SCHEMBL462456

c1cc(-c2cc(NCC3CCCO3)c3ncc(-c4ccc(-c5cnc(C6CC6)[nH]5)cc4)n3n2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TTK P33981 19/20 0.46
EGLN2 Q96KS0 1/20 0.36

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
SCHEMBL457094 1.00 TTK (0.46) TTKEGLN2
SCHEMBL457398 1.00 TTK (0.46) TTKEGLN2
SCHEMBL12468680 0.98 TTK (0.46) TTK
SCHEMBL457529 0.87 ERN1 (0.47) TTKEGLN2
SCHEMBL17425377 0.87 ERN1 (0.47) TTKEGLN2
SCHEMBL457528 0.87 ERN1 (0.47) TTKEGLN2
SCHEMBL10279486 0.85 ERN1 (0.47) TTK
SCHEMBL17590076 0.85 ERN1 (0.47) TTK
SCHEMBL458383 0.84 TTK (0.55) TTK
SCHEMBL455121 0.82 TTK (0.51) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614063-A1 SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Intellectual Property GmbH (DE) 2013-07-17 EP disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed