SCHEMBL454909

SCHEMBL454909

COc1cc(C(=O)NC2CC2)ccc1-c1cnc2c(NCC(C)(C)O)cc(Sc3ccccc3)nn12

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TTK P33981 18/20 0.54
PTK2 Q05397 1/20 0.44
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39

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
SCHEMBL457511 0.92 TTK (0.51) TTKPTK2ROCK2ROCK1
SCHEMBL456258 0.91 TTK (0.54) TTK
SCHEMBL456225 0.86 TTK (0.58) TTKROCK2ROCK1
SCHEMBL456043 0.84 TTK (0.56) TTK
SCHEMBL456045 0.84 TTK (0.56) TTK
SCHEMBL456044 0.84 TTK (0.56) TTK
SCHEMBL458818 0.83 TTK (0.51) TTK
SCHEMBL458658 0.82 TTK (0.58) TTK
SCHEMBL455861 0.81 TTK (0.59) TTK
SCHEMBL15555049 0.81 TTK (0.55) 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 6 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 claimed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO claimed
EP-2614063-B1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2016-01-13 EP disclosed
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
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed