Sugi Predict

Sugi Predict / Compounds / SCHEMBL456217

SCHEMBL456217

SCHEMBL456217

Cc1cc(-c2cnc3c(NCC4CCOCC4)cc(-c4ccccc4CO)nn23)ccc1C(=O)NC1CC1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 20/20 0.69
▸ CYP3A4 P08684 1/20 0.53

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
SCHEMBL456420 0.96 TTK (0.64) TTKCYP3A4
SCHEMBL470287 0.91 TTK (0.57) TTK
SCHEMBL469950 0.90 TTK (0.58) TTK
SCHEMBL10279522 0.88 TTK (0.54) TTK
SCHEMBL455773 0.87 TTK (0.54) TTK
SCHEMBL15555228 0.87 TTK (0.53) TTK
SCHEMBL457781 0.86 TTK (0.53) TTK
SCHEMBL19336856 0.86 TTK (0.80) TTKCYP3A4
SCHEMBL469958 0.86 TTK (0.58) TTK
SCHEMBL457649 0.86 TTK (0.66) 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
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
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 — — WO disclosed