SCHEMBL470099

SCHEMBL470099

Cc1ccccc1Oc1cc(NCCN2CCOCC2)c2ncc(-c3ccc(C(N)=O)c(C)c3)n2n1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TTK P33981 15/20 0.53
HSP90AA1 P07900 2/20 0.41
CSF1R P07333 1/20 0.41
CYP3A4 P08684 1/20 0.40
FYN P06241 1/20 0.39
LRRK2 Q5S007 1/20 0.39

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
SCHEMBL470204 0.92 TTK (0.55) TTKCSF1RCYP3A4FYN
SCHEMBL15555121 0.92 TTK (0.54) TTKCYP3A4FYN
SCHEMBL10279719 0.91 TTK (0.53) TTKCYP3A4
SCHEMBL17590099 0.88 TTK (0.53) TTKCSF1RCYP3A4
SCHEMBL17590100 0.87 TTK (0.58) TTKCSF1RCYP3A4FYN
SCHEMBL470067 0.86 TTK (0.55) TTKCSF1RCYP3A4FYN
SCHEMBL469990 0.86 TTK (0.51) TTKFYN
SCHEMBL17425418 0.86 TTK (0.54) TTKFYN
SCHEMBL17416403 0.85 TTK (0.63) TTKCYP3A4
SCHEMBL470065 0.85 TTK (0.49) TTKHSP90AA1FYN

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
US-9255100-B2 Substituted imidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-09 US disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed