SCHEMBL459406

SCHEMBL459406

CC(C)(O)CNc1cc(-c2ccc(F)cc2)nn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TTK P33981 19/20 0.70
FYN P06241 1/20 0.49

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
SCHEMBL12466960 0.92 TTK (0.79) TTK
SCHEMBL457113 0.90 TTK (0.59) TTK
SCHEMBL469992 0.90 TTK (0.57) TTKFYN
SCHEMBL458658 0.88 TTK (0.58) TTK
SCHEMBL469928 0.88 TTK (0.86) TTK
SCHEMBL469964 0.86 TTK (0.74) TTK
SCHEMBL458430 0.84 TTK (0.61) TTK
SCHEMBL470122 0.83 TTK (0.93) TTK
SCHEMBL457071 0.83 TTK (0.59) TTK
SCHEMBL457645 0.83 TTK (0.64) 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 5 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-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