SCHEMBL13077447

SCHEMBL13077447

Nc1ccc2c(c1)nc(NCc1cccc(F)c1)c1ncc(-c3ccc(C(=O)NC4CC4)cc3)n12

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TTK P33981 17/20 0.51
NTRK1 P04629 3/20 0.46
NTRK3 Q16288 1/20 0.46
NTRK2 Q16620 1/20 0.46

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
SCHEMBL3724008 0.91 TTK (0.55) TTKNTRK1NTRK3NTRK2
SCHEMBL122170 0.90 TTK (0.53) TTKNTRK1NTRK3NTRK2
SCHEMBL120245 0.89 TTK (0.49) TTKNTRK1NTRK3NTRK2
SCHEMBL13076761 0.89 TTK (0.53) TTK
SCHEMBL13077302 0.86 TTK (0.47) TTK
SCHEMBL13077294 0.85 TTK (0.53) TTK
SCHEMBL13076766 0.85 TTK (0.50) TTK
SCHEMBL13077293 0.84 TTK (0.51) TTK
SCHEMBL13077033 0.84 TTK (0.59) TTK
SCHEMBL13076759 0.84 TTK (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010124826-A1 SUBSTITUTED IMIDAZOQUINOXALINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-04 WO disclosed