SCHEMBL470247

SCHEMBL470247

CC(C)(C)CNc1cc(Oc2ccccc2)nn2c(-c3ccc(C4OCCO4)cc3)cnc12

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TTK P33981 16/20 0.53
ERN1 O75460 3/20 0.34
FYN P06241 1/20 0.34

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
SCHEMBL456811 0.93 TTK (0.53) TTKERN1FYN
SCHEMBL470017 0.84 TTK (0.46) TTK
SCHEMBL470248 0.82 ERN1 (0.48) TTKERN1
SCHEMBL456264 0.79 TTK (0.51) TTKERN1FYN
SCHEMBL457290 0.76 TTK (0.43) TTKERN1
SCHEMBL459313 0.75 TTK (0.47) TTKERN1
SCHEMBL10279503 0.75 TTK (0.50) TTKFYN
SCHEMBL458247 0.74 TTK (0.61) TTK
SCHEMBL469994 0.73 FYN (0.47) TTKFYN
SCHEMBL470169 0.73 TTK (0.45) TTKFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed