SCHEMBL13954859

SCHEMBL13954859

Nn1cc(-c2cnc3c(NC4CCOCC4)nccn23)cn1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 6/20 0.47
▸ TTK P33981 3/20 0.45
▸ AURKA O14965 5/20 0.41
▸ AURKB Q96GD4 4/20 0.41
▸ ADORA3 P0DMS8 4/20 0.39
▸ LRRK2 Q5S007 1/20 0.38

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
SCHEMBL14537009 0.92 FLT3 (0.46) FLT3TTKAURKAAURKBADORA3
SCHEMBL14529893 0.89 ADORA3 (0.48) FLT3TTKAURKAAURKBADORA3
SCHEMBL8240563 0.88 AURKA (0.53) FLT3TTKAURKAAURKB
SCHEMBL14530017 0.87 FLT3 (0.56) FLT3TTKAURKAAURKBADORA3
SCHEMBL8240135 0.79 AURKA (0.58) FLT3TTKAURKAAURKBADORA3
SCHEMBL13955023 0.79 TTK (0.41) FLT3TTKAURKAAURKB
SCHEMBL14537008 0.79 AURKA (0.46) FLT3TTKAURKAAURKB
SCHEMBL8246210 0.76 AURKA (0.55) FLT3TTKAURKAAURKBADORA3
SCHEMBL8241005 0.75 AURKA (0.64) FLT3TTKAURKAAURKBADORA3
SCHEMBL14536949 0.75 TTK (0.46) FLT3TTKAURKAAURKB

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
WO-2009017701-A2 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION (US) 2009-02-05 — — WO disclosed
WO-2007056468-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2007-05-18 — — WO disclosed
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