SCHEMBL14529936

SCHEMBL14529936

NN1C=C(c2cnc3c(Nc4ccc5sccc5c4)nccn23)CN1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 1/20 0.35
▸ MAPKAPK5 Q8IW41 11/20 0.34
▸ AURKA O14965 4/20 0.34
▸ AURKB Q96GD4 3/20 0.34
▸ FLT3 P36888 1/20 0.33
▸ TTK P33981 1/20 0.33
▸ BACE1 P56817 1/20 0.32
▸ BACE2 Q9Y5Z0 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
SCHEMBL14536958 0.81 AURKA (0.36) AURKAAURKBFLT3TTK
SCHEMBL14536853 0.79 AURKA (0.46) PTK6MAPKAPK5AURKAAURKBFLT3
SCHEMBL8241173 0.77 AURKA (0.60) PTK6MAPKAPK5AURKAAURKBFLT3
SCHEMBL14536830 0.73 AURKA (0.37) MAPKAPK5AURKAAURKBFLT3TTK
SCHEMBL14507243 0.70 EGFR (0.41) PTK6MAPKAPK5AURKAAURKBFLT3
SCHEMBL14529900 0.69 TTK (0.50) MAPKAPK5AURKAAURKBFLT3TTK
SCHEMBL12473231 0.69 AURKA (0.34) MAPKAPK5AURKAAURKBFLT3
SCHEMBL15146186 0.67 FYN (0.49) PTK6MAPKAPK5AURKAAURKBFLT3
SCHEMBL14507206 0.67 TTK (0.41) MAPKAPK5AURKAAURKBFLT3TTK
SCHEMBL14537080 0.65 AURKA (0.45) MAPKAPK5AURKAAURKBFLT3TTK

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-2007058873-A2 IMIDAZOPYRAZINES AS CYCLIN DEPENTEND KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 — — WO disclosed
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