SCHEMBL17590100

SCHEMBL17590100

COc1ccc(Oc2cc(NCCN3CCOCC3)c3ncc(-c4ccc(C(N)=O)c(C)c4)n3n2)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TTK P33981 15/20 0.58
CSF1R P07333 1/20 0.43
CD274 Q9NZQ7 1/20 0.41
FYN P06241 1/20 0.41
CYP3A4 P08684 1/20 0.40
LMNA P02545 1/20 0.40
SCN9A Q15858 1/20 0.40

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
SCHEMBL17425417 0.93 TTK (0.60) TTKCD274FYNCYP3A4
SCHEMBL17425419 0.92 TTK (0.59) TTKCD274CYP3A4LMNA
SCHEMBL17590099 0.91 TTK (0.53) TTKCSF1RCYP3A4SCN9A
SCHEMBL470067 0.91 TTK (0.55) TTKCSF1RFYNCYP3A4SCN9A
SCHEMBL10279273 0.88 TTK (0.71) TTKFYN
SCHEMBL470204 0.88 TTK (0.55) TTKCSF1RFYNCYP3A4SCN9A
SCHEMBL17590108 0.88 TTK (0.59) TTKFYN
SCHEMBL470099 0.87 TTK (0.53) TTKCSF1RFYNCYP3A4
SCHEMBL470083 0.86 TTK (0.67) TTK
SCHEMBL10279278 0.84 TTK (0.55) TTKCD274FYNCYP3A4

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
US-9255100-B2 Substituted imidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-09 US disclosed