SCHEMBL456052

SCHEMBL456052

Cc1cc(-c2cnc3c(NCCO)cc(Oc4cccc(F)c4)nn23)ccc1C(=O)NC1CC1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TTK P33981 20/20 0.64
CYP3A4 P08684 1/20 0.52

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
SCHEMBL10279713 0.94 TTK (0.64) TTKCYP3A4
SCHEMBL10279543 0.94 TTK (0.65) TTKCYP3A4
SCHEMBL10279265 0.92 TTK (0.61) TTKCYP3A4
SCHEMBL17416413 0.92 TTK (0.62) TTKCYP3A4
SCHEMBL15555011 0.92 TTK (0.62) TTKCYP3A4
SCHEMBL456090 0.92 TTK (0.76) TTK
SCHEMBL457330 0.92 TTK (0.64) TTKCYP3A4
SCHEMBL457505 0.92 TTK (0.62) TTKCYP3A4
SCHEMBL462358 0.92 TTK (0.67) TTKCYP3A4
SCHEMBL15556221 0.92 TTK (0.67) TTKCYP3A4

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-B1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2016-01-13 EP claimed
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
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed