SCHEMBL456264

SCHEMBL456264

CC(C)(O)CNc1cc(-c2ccccc2)nn2c(-c3ccc(C4OCCO4)cc3)cnc12

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TTK P33981 13/20 0.51
FYN P06241 5/20 0.38
PIM1 P11309 1/20 0.36
ERN1 O75460 1/20 0.35

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
SCHEMBL469994 0.92 FYN (0.47) TTKFYNPIM1
SCHEMBL470169 0.92 TTK (0.45) TTKFYN
SCHEMBL456811 0.86 TTK (0.53) TTKFYNPIM1ERN1
SCHEMBL457290 0.86 TTK (0.43) TTKPIM1ERN1
SCHEMBL459313 0.86 TTK (0.47) TTKERN1
SCHEMBL456263 0.85 TTK (0.45) TTKFYN
SCHEMBL458258 0.81 TTK (0.51) TTKFYNPIM1
SCHEMBL454908 0.80 TTK (0.63) TTK
SCHEMBL12466960 0.80 TTK (0.79) TTK
SCHEMBL469926 0.79 TTK (0.41) TTKFYNPIM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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