SCHEMBL13954584

SCHEMBL13954584

Nn1cc(-c2cnc3c(Nc4cccs4)nccn23)cn1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 8/20 0.53
▸ AURKB Q96GD4 7/20 0.53
▸ TTK P33981 6/20 0.40
▸ FLT3 P36888 2/20 0.36
▸ MAPKAPK5 Q8IW41 3/20 0.33
▸ ADORA3 P0DMS8 1/20 0.32

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
SCHEMBL8239874 0.87 AURKA (0.69) AURKAAURKBTTKFLT3MAPKAPK5
SCHEMBL14536731 0.82 AURKA (0.49) AURKAAURKBTTKFLT3MAPKAPK5
SCHEMBL14530182 0.82 AURKA (0.53) AURKAAURKBTTKFLT3MAPKAPK5
SCHEMBL14536959 0.82 TTK (0.54) AURKAAURKBTTKMAPKAPK5
SCHEMBL14538587 0.80 AURKA (0.44) AURKAAURKBTTKFLT3
SCHEMBL14537007 0.79 AURKA (0.48) AURKAAURKBTTKMAPKAPK5
SCHEMBL14537008 0.79 AURKA (0.46) AURKAAURKBTTKFLT3
SCHEMBL14530166 0.78 AURKA (0.48) AURKAAURKBTTKFLT3MAPKAPK5
SCHEMBL14536853 0.78 AURKA (0.46) AURKAAURKBTTKFLT3MAPKAPK5
SCHEMBL14536759 0.77 AURKA (0.42) AURKAAURKBTTKFLT3

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-2009017701-A2 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION (US) 2009-02-05 — — WO disclosed
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