SCHEMBL14537080

SCHEMBL14537080

CN1C=C(c2cnc3c(Nc4ccns4)nccn23)CN1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 8/20 0.45
▸ AURKB Q96GD4 7/20 0.45
▸ FLT3 P36888 6/20 0.35
▸ TTK P33981 3/20 0.33
▸ MAPKAPK5 Q8IW41 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.31

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
SCHEMBL14529900 0.81 TTK (0.50) AURKAAURKBFLT3TTKMAPKAPK5
SCHEMBL14530155 0.79 AURKA (0.43) AURKAAURKBFLT3TTKMAPKAPK5
SCHEMBL14507206 0.79 TTK (0.41) AURKAAURKBFLT3TTKMAPKAPK5
SCHEMBL8240371 0.78 AURKA (0.70) AURKAAURKBFLT3TTKMAPKAPK5
SCHEMBL14530725 0.77 ABL1 (0.40) AURKAAURKBTTK
SCHEMBL15146186 0.75 FYN (0.49) AURKAAURKBFLT3TTKMAPKAPK5
SCHEMBL12473053 0.75 AURKB (0.54) AURKAAURKBFLT3MAPKAPK5
SCHEMBL14530729 0.74 AURKA (0.51) AURKAAURKBTTKMAPKAPK5
SCHEMBL14536961 0.72 FLT3 (0.51) FLT3TTKADORA3
SCHEMBL15146139 0.72 AURKB (0.49) AURKAAURKBTTK

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-2007056468-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2007-05-18 — — WO disclosed
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