SCHEMBL458658

SCHEMBL458658

COc1cc(C(=O)NC2CC2)ccc1-c1cnc2c(NCC(C)(C)O)cc(-c3ccc(F)cc3)nn12

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TTK P33981 20/20 0.58

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
SCHEMBL469966 0.91 TTK (0.60) TTK
SCHEMBL459406 0.88 TTK (0.70) TTK
SCHEMBL456225 0.86 TTK (0.58) TTK
SCHEMBL15555049 0.86 TTK (0.55) TTK
SCHEMBL456043 0.84 TTK (0.56) TTK
SCHEMBL456045 0.84 TTK (0.56) TTK
SCHEMBL456044 0.84 TTK (0.56) TTK
SCHEMBL457511 0.83 TTK (0.51) TTK
SCHEMBL457113 0.82 TTK (0.59) TTK
SCHEMBL454909 0.82 TTK (0.54) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014020041-A1 COMBINATIONS FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-02-06 WO claimed
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-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