SCHEMBL458324

SCHEMBL458324

Cc1cc(-c2cn3nc(Br)cc(NCC4CCOCC4)c3n2)ccc1C(=O)NC1CC1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TTK P33981 20/20 0.57
CYP3A4 P08684 5/20 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
SCHEMBL17425421 0.84 TTK (0.78) TTKCYP3A4
SCHEMBL16295891 0.83 TTK (0.74) TTKCYP3A4
SCHEMBL15556481 0.77 TTK (0.68) TTK
SCHEMBL12987754 0.76 TTK (0.68) TTKCYP3A4
SCHEMBL17416373 0.76 TTK (0.66) TTKCYP3A4
SCHEMBL19336856 0.76 TTK (0.80) TTKCYP3A4
SCHEMBL455891 0.75 TTK (0.65) TTK
SCHEMBL17425424 0.75 TTK (0.65) TTK
SCHEMBL458323 0.75 TTK (0.53) TTKCYP3A4
SCHEMBL17416374 0.75 TTK (0.65) 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 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